| SpectraBase Spectrum ID |
LJRXIWM4BGG |
| Name |
Azocine, 8-ethoxy-2,3,4,5-tetrahydro-7-(phenylthio)-, (E,?)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.118735409 u |
| Formula |
C15H19NOS |
| InChI |
InChI=1S/C15H19NOS/c1-2-17-15-14(11-7-4-8-12-16-15)18-13-9-5-3-6-10-13/h3,5-6,9-11H,2,4,7-8,12H2,1H3/b14-11+,16-15+ |
| InChIKey |
ADKGFJGEOXQIIO-LPVXAABHSA-N |
| Molecular Weight |
261.383 g/mol |
| SMILES |
C1\N=C/(\C(=C/CCC1)SC=1C=CC=CC1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857152 |
