For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2H-Thiopyran, propanedinitrile deriv.
SpectraBase Compound ID Ct2YjDiFe7G
InChI InChI=1S/C21H12N4S/c22-11-16(12-23)20-17(13-24)19(25)18(14-7-3-1-4-8-14)21(26-20)15-9-5-2-6-10-15/h1-10H,25H2
InChIKey ZUXSXLFVPZBODV-UHFFFAOYSA-N
Mol Weight 352.42 g/mol
Molecular Formula C21H12N4S
Exact Mass 352.078268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A9dqU6UQTQe
Name 2H-Thiopyran, propanedinitrile deriv.
Alternate Name(s) Propanedinitrile, (4-amino-3-cyano-5,6-diphenyl-2H-thiopyran-2-ylidene)- 2-(4-amino-3-cyano-5,6-diphenyl-2H-thiopyran-2-ylidene)malononitrile 4-Amino-3-cyano-2-dicyanomethylene-5,6-diphenyl-2H-thiin
CAS Registry Number 122583-31-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H12N4S
InChI InChI=1S/C21H12N4S/c22-11-16(12-23)20-17(13-24)19(25)18(14-7-3-1-4-8-14)21(26-20)15-9-5-2-6-10-15/h1-10H,25H2
InChIKey ZUXSXLFVPZBODV-UHFFFAOYSA-N
Molecular Weight 352.415 g/mol
SMILES NC1=C(C(SC(c2ccccc2)=C1c1ccccc1)=C(C#N)C#N)C#N
SPLASH splash10-0a4i-9403000000-0f43b99d51f451a8a67f
Source of Spectrum AJ-62-1090-14
Wiley ID 1343349