Sample Description:
 | | Molecular Formula: C14H19N3O3
Molecular Weight: 277.319
| InChI= |
1/C14H19N3O3/c1-20-12-10-11(5-7-15-12)14(19)16-6-3-9-17-8-2-4-13(17)18/h5,7,10H,2-4,6,8- 9H2,1H3,(H,16,19)/f/h16H
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| IUPAC Name: |
2-Methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]isonicotinamide
|
PubChem: 5323897
NMRShiftDB: 76063
Spectrometer: Bruker AV 400 MHz
Solvent: DMSO-d6
| Provided by: |
Dr. Till Kühn, Bruker BioSpin
|
|
| Directory | npF2 | NS | swF2 | spF2 | npF1 | swF1 | spF1 | time |
 |
| proton (1) | 32768 | 16 | 8278.146 | -1674.091 | | | | 1 m 19 s |
| carbon (3) | 32768 | 34 | 25125.628 | -532.088 | | | | 2 m 20 s |
1D Proton Spectrum:
1D Carbon Spectrum
(Deuterated Solvent Resonances Subtracted):
| |
Automated VerifyIt Proton Assignments:
 | |
Automated VerifyIt Carbon Assignments:
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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: 0.905329 ( 5323897) 2: 0.902761 ( 2982901) 3: 0.899538 ( 8963020)
4: 0.899027 ( 7609162) 5: 0.898957 ( 946382) 6: 0.898587 ( 8202168)
7: 0.898560 ( 2990777) 8: 0.896538 ( 7314853) 9: 0.896237 (10588573)
10: 0.895640 ( 3020338)
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: 0.872205 ( 5323897) 2: 0.864607 (11309225) 3: 0.848823 ( 4128076)
4: 0.845696 ( 4324846) 5: 0.845553 ( 3809048) 6: 0.843822 ( 3832753)
7: 0.843635 (15957865) 8: 0.840807 (11564434) 9: 0.840565 ( 448072)
10: 0.837636 (11564435)
Comments:
FindIt identifies the correct structure as the top one.
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