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ETHYL-(10-DICYANOMETHYL-ANTHRACEN-9-YL-MERCAPTO)-ACETATE
SpectraBase Compound ID HNORoL5LXPq
InChI InChI=1S/C21H16N2O2S/c1-2-25-19(24)13-26-21-17-9-5-3-7-15(17)20(14(11-22)12-23)16-8-4-6-10-18(16)21/h3-10,14H,2,13H2,1H3
InChIKey XFJLFOAXADSEGO-UHFFFAOYSA-N
Mol Weight 360.43 g/mol
Molecular Formula C21H16N2O2S
Exact Mass 360.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fcwTyuRHDO
Name 2-[[10-(dicyanomethyl)-9-anthracenyl]thio]acetic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O2S
InChI InChI=1S/C21H16N2O2S/c1-2-25-19(24)13-26-21-17-9-5-3-7-15(17)20(14(11-22)12-23)16-8-4-6-10-18(16)21/h3-10,14H,2,13H2,1H3
InChIKey XFJLFOAXADSEGO-UHFFFAOYSA-N
Molecular Weight 360.431 g/mol
SMILES c1(c2c(cccc2)c(c2c1cccc2)SCC(=O)OCC)C(C#N)C#N
SPLASH splash10-0006-0090000000-18d1facee0aa910e06d8
Source of Spectrum AH-126-780-4
Synonyms 2-[[10-(dicyanomethyl)-9-anthryl]thio]acetic acid ethyl ester Ethyl 2-[10-(dicyanomethyl)anthracen-9-yl]sulfanylacetate Ethyl 2-[10-(dicyanomethyl)anthracen-9-yl]sulfanylethanoate Ethyl 2-[[10-(dicyanomethyl)-9-anthryl]sulfanyl]acetate
Wiley ID 1348399