| SpectraBase Spectrum ID |
LaFMvO39Ezr |
| Name |
2,3-Dihydro-5-benzyl-2(S)-methyl-1,5-benzoxazepin-4(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.125928789 u |
| Formula |
C17H17NO2 |
| InChI |
InChI=1S/C17H17NO2/c1-13-11-17(19)18(12-14-7-3-2-4-8-14)15-9-5-6-10-16(15)20-13/h2-10,13H,11-12H2,1H3/t13-/m0/s1 |
| InChIKey |
UQPXXAJPSOYPBL-ZDUSSCGKSA-N |
| Molecular Weight |
267.328 g/mol |
| SMILES |
C1(N(C=2C(O[C@](C1)(C)[H])=CC=CC2)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852547 |
