| SpectraBase Spectrum ID |
Bt6rdFnZYdx |
| Name |
1,4-Benzoxazepine, 5-(3-chlorophenyl)-2,3,4,5-tetrahydro-8-methoxy-4-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.102606522 u |
| Formula |
C17H18ClNO2 |
| InChI |
InChI=1S/C17H18ClNO2/c1-19-8-9-21-16-11-14(20-2)6-7-15(16)17(19)12-4-3-5-13(18)10-12/h3-7,10-11,17H,8-9H2,1-2H3 |
| InChIKey |
GYRMITPLIUOHHH-UHFFFAOYSA-N |
| Molecular Weight |
303.789 g/mol |
| SMILES |
C1=2C(C=3C=C(Cl)C=CC3)N(CCOC1=CC(=CC2)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896196 |
