| SpectraBase Spectrum ID |
7zU4fUGjamh |
| Name |
(+-)-1-phenyl-6,7,10,10A-tetrahydro-3H-pyrido[1,2-A]azepin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.131014170 u |
| Formula |
C16H17NO |
| InChI |
InChI=1S/C16H17NO/c18-16-11-10-14(13-7-3-1-4-8-13)15-9-5-2-6-12-17(15)16/h1-5,7-8,10,15H,6,9,11-12H2 |
| InChIKey |
BXNDZYSPZYNEBC-UHFFFAOYSA-N |
| Molecular Weight |
239.318 g/mol |
| SMILES |
C12N(C(CC=C2C2=CC=CC=C2)=O)CCC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967919 |
![(+-)-1-Phenyl-6,7,10,10a-tetrahydro-3H-pyrido[1,2-a]azepin-4-one](/api/spectrum/7zU4fUGjamh/structure.png?h=300&w=458 "(+-)-1-Phenyl-6,7,10,10a-tetrahydro-3H-pyrido[1,2-a]azepin-4-one")
