| SpectraBase Spectrum ID |
7Axgp5Nw2YK |
| Name |
(4R*,5S*)-4,5-Dimethyl-7-oxo-2,3,4,5,6,7-hexahydro-[1]-pyrindine-1-carboxylic acid benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.152143537 u |
| Formula |
C18H21NO3 |
| InChI |
InChI=1S/C18H21NO3/c1-12-8-9-19(17-15(20)10-13(2)16(12)17)18(21)22-11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/t12-,13+/m1/s1 |
| InChIKey |
PPYQMMSATIYECA-OLZOCXBDSA-N |
| SMILES |
C=12N(C(OCC3=CC=CC=C3)=O)CC[C@](C1[C@@](C)(CC2=O)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971428 |
![(4R*,5S*)-4,5-Dimethyl-7-oxo-2,3,4,5,6,7-hexahydro-[1]-pyrindine-1-carboxylic acid benzyl ester](/api/spectrum/7Axgp5Nw2YK/structure.png?h=300&w=458 "(4R*,5S*)-4,5-Dimethyl-7-oxo-2,3,4,5,6,7-hexahydro-[1]-pyrindine-1-carboxylic acid benzyl ester")
