| SpectraBase Spectrum ID |
9s7p4k9k7YJ |
| Name |
2-Methyl-4-phenyl-2,4,6,7,8,9-hexahydro-3H-2-benzazepin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.146664235 u |
| Formula |
C17H19NO |
| InChI |
InChI=1S/C17H19NO/c1-18-12-15-10-6-5-9-14(15)11-16(17(18)19)13-7-3-2-4-8-13/h2-4,7-8,11-12,16H,5-6,9-10H2,1H3 |
| InChIKey |
XJQPAMTZTYDTLB-UHFFFAOYSA-N |
| Molecular Weight |
253.345 g/mol |
| SMILES |
CN1C(=O)C(C=C2C(=C1)CCCC2)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973948 |
