| SpectraBase Spectrum ID |
LdFHOn1ECNW |
| Name |
(4ar,6S,8ar)-8-Keto-8A-methyl-6-phenyl-2,3,4,4A,5,7-hexahydro-1H-1,7-naphthyridine-6-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.163042573 u |
| Formula |
C17H22N2O3 |
| InChI |
InChI=1S/C17H22N2O3/c1-16-13(9-6-10-18-16)11-17(15(21)22-2,19-14(16)20)12-7-4-3-5-8-12/h3-5,7-8,13,18H,6,9-11H2,1-2H3,(H,19,20)/t13-,16-,17+/m1/s1 |
| InChIKey |
ATXUMODCECZAKX-XYPHTWIQSA-N |
| SMILES |
[C@@]1(NC(=O)[C@]2([C@@](C1)(CCCN2)[H])C)(C(=O)OC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961992 |
