| SpectraBase Spectrum ID |
9Wczwf0Ym97 |
| Name |
(Z)-1-Benzyl-6,7-dihydro-3,3-dimethyl-6-methylene-5-vinyl-1H-azepin-2(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.162314299 u |
| Formula |
C18H21NO |
| InChI |
InChI=1S/C18H21NO/c1-5-16-11-18(3,4)17(20)19(12-14(16)2)13-15-9-7-6-8-10-15/h5-11H,1-2,12-13H2,3-4H3 |
| InChIKey |
URDVSBZQFWJILT-UHFFFAOYSA-N |
| Molecular Weight |
267.372 g/mol |
| SMILES |
C1(C)(C=C(C=C)C(=C)CN(CC2=CC=CC=C2)C1=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849964 |
