Sample Description:

Molecular Formula: C5H10O Molecular Weight: 86.132 InChI= 1/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2 IUPAC Name:  Pent-4-en-1-ol CAS Number: 821-09-0 PubChem: 13181 NMRShiftDB: 30001572 Spectrometer: Bruker ARX 400 MHz Solvent: CDCl3 Provided by:  WebSpectra: Intermediate (1) Problem #9

$> cat proton.ll
5.7644  .1
5.7477  .1
5.7389  .1
5.7311  .1
5.7221  .1
5.7052  .1
5.6961  .1
5.6883  .1
5.6795  .1
5.6628  .1

4.9521  .14
4.9480  .14
4.9438  .14
4.9397  .14
4.9093  .14
4.9052  .14
4.9010  .14
4.8969  .14
4.8698  .14
4.8681  .14
4.8660  .14
4.8443  .14
4.8427  .14
4.8406  .14

3.8226  .5
3.5027  .5
3.4860  .5
3.4692  .5

2.0600  .33
2.0388  .33
2.0212  .33
2.0038  .33
2.0013  .33
1.9845  .33

1.5710  .4
1.5543  .4
1.5348  .4
1.5172  .4
1.5000  .4
			

$> cat carbon.ll
138.123
114.633
61.880
31.568
29.892
			

Automated VerifyIt Proton Assignments:

Automated VerifyIt Carbon Assignments:

Top 10 FindIt Molecular Structures Consistent With Molecular Formula and Proton Resonances:

The correct structure is at position 1.

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.961645 (   13181)    2: 0.924291 (   94292)    3: 0.919261 (   69814)
    4: 0.918887 ( 5364628)    5: 0.916318 (   12988)    6: 0.916104 (   12247)
    7: 0.905484 (   12020)    8: 0.902261 ( 5364919)    9: 0.902154 (   78130)
   10: 0.901950 (   15306)
			

Top 10 FindIt Molecular Structures Consistent With Proton and Carbon Resonances:

The correct structure is at position 1.

 Best 10 structures in decreasing rating (structure ID shown in parentheses):
    1: 0.948421 (   13181)    2: 0.886226 (  141497)    3: 0.884627 (  313516)
    4: 0.883264 (  641004)    5: 0.881150 (  541855)    6: 0.878538 (   69963)
    7: 0.877776 ( 4121890)    8: 0.865609 ( 3578384)    9: 0.859306 ( 4454246)
   10: 0.857842 ( 6428899)
			

Comments:

The top structure is the correct one.