| SpectraBase Spectrum ID |
JMseaqcB5vO |
| Name |
(S)-N-Benzyl-N-methyl-1-((2-methylbenzoyl)-L-prolyl)pyrrolidine-2-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.236541867 u |
| Formula |
C26H31N3O3 |
| InChI |
InChI=1S/C26H31N3O3/c1-19-10-6-7-13-21(19)24(30)28-16-9-15-23(28)26(32)29-17-8-14-22(29)25(31)27(2)18-20-11-4-3-5-12-20/h3-7,10-13,22-23H,8-9,14-18H2,1-2H3/t22-,23-/m0/s1 |
| InChIKey |
CQZKCACPZVUNQI-GOTSBHOMSA-N |
| Molecular Weight |
433.552 g/mol |
| SMILES |
[C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=C(C=CC=C1)C)=O)[H])=O)(C(=O)N(C)CC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877876 |
