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Propanedinitrile, [9-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-9H-thioxanthen-9-yl]-
SpectraBase Compound ID 7orbpheuuw1
InChI InChI=1S/C25H14N2O2S/c26-13-15(14-27)25(22-23(28)16-7-1-2-8-17(16)24(22)29)18-9-3-5-11-20(18)30-21-12-6-4-10-19(21)25/h1-12,15,22H
InChIKey ZFCDXSBJAHVALJ-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C25H14N2O2S
Exact Mass 406.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGSZikK6bF4
Name Propanedinitrile, [9-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-9H-thioxanthen-9-yl]-
CAS Registry Number 87688-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H14N2O2S
InChI InChI=1S/C25H14N2O2S/c26-13-15(14-27)25(22-23(28)16-7-1-2-8-17(16)24(22)29)18-9-3-5-11-20(18)30-21-12-6-4-10-19(21)25/h1-12,15,22H
InChIKey ZFCDXSBJAHVALJ-UHFFFAOYSA-N
Molecular Weight 406.459 g/mol
SMILES C1(C2(c3c(cccc3)Sc3c2cccc3)C(C#N)C#N)C(c2ccccc2C1=O)=O
SPLASH splash10-00ku-3009100000-78b58418676ac6b0b4d8
Source of Spectrum F-39-2436-0
Synonyms 2-(9-Dicyanomethyl-9-thioxanthyl)indane-1,3,-dione 2-[10-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-10H-dibenzo[b,e]thiopyran-10-yl]malononitrile 9H-thioxanthene, propanedinitrile deriv.
Wiley ID 1372304