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2-Amino-4-(4-methoxyphenyl)-(5H)-dibenzo[b,d]thiopyran-1,3-dicarbonitrile
SpectraBase Compound ID 4hV6KYi1ldG
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
Mol Weight 369.44 g/mol
Molecular Formula C22H15N3OS
Exact Mass 369.093583 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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