SpectraBase Spectrum ID |
zd4T2Fvpta |
Name |
2-Amino-4-(4-methoxyphenyl)-(5H)-dibenzo[B,D]thiopyran-1,3-dicarbonitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
369.093583288 u |
Formula |
C22H15N3OS |
InChI |
InChI=1S/C22H15N3OS/c1-26-14-8-6-13(7-9-14)20-16(10-23)22(25)17(11-24)21-15-4-2-3-5-19(15)27-12-18(20)21/h2-9H,12,25H2,1H3 |
InChIKey |
OEHPIVNJDKPWGR-UHFFFAOYSA-N |
Molecular Weight |
369.442 g/mol |
SMILES |
C=1(C2=C(CSC3=C2C=CC=C3)C(=C(C1N)C#N)C1=CC=C(C=C1)OC)C#N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928339 |