| SpectraBase Spectrum ID |
5HpXj8RYl4Y |
| Name |
alpha,alpha-Diphenyl-3,4,5,7,8,9,10,10A-octahydro-1H-pyrido[2,1-C][1,4]oxazepine-4-methanol, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.180856844 u |
| Formula |
C22H28ClNO2 |
| InChI |
InChI=1S/C22H27NO2.ClH/c24-22(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-15-23-14-8-7-13-21(23)17-25-16-20;/h1-6,9-12,20-21,24H,7-8,13-17H2;1H |
| InChIKey |
CHEWBVBBITWAST-UHFFFAOYSA-N |
| Molecular Weight |
373.924 g/mol |
| SMILES |
OC(C1COCC2N(CCCC2)C1)(C=1C=CC=CC1)C=1C=CC=CC1.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.975853 |
![alpha,alpha-Diphenyl-3,4,5,7,8,9,10,10A-octahydro-1H-pyrido[2,1-C][1,4]oxazepine-4-methanol, hydrochloride](/api/spectrum/5HpXj8RYl4Y/structure.png?h=300&w=458 "alpha,alpha-Diphenyl-3,4,5,7,8,9,10,10A-octahydro-1H-pyrido[2,1-C][1,4]oxazepine-4-methanol, hydrochloride")
