| SpectraBase Spectrum ID |
D4WG2R4HlOD |
| Name |
3-Amino-2'-methoxy-5-methylsulfanylbiphenyl-2,4-dicarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.077933224 u |
| Formula |
C16H13N3OS |
| InChI |
InChI=1S/C16H13N3OS/c1-20-14-6-4-3-5-10(14)11-7-15(21-2)13(9-18)16(19)12(11)8-17/h3-7H,19H2,1-2H3 |
| InChIKey |
ZXRHTRVGJQFNTB-UHFFFAOYSA-N |
| SMILES |
C=1(C(=C(N)C(=C(C1)SC)C#N)C#N)C=1C(OC)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833032 |
