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Ethyl (2Z)-2-cyano-3-[2-(cyanosulfanyl)-1-cyclopenten-1-yl]-2-propenoate
SpectraBase Compound ID H78eUro83Ja
InChI InChI=1S/C12H12N2O2S/c1-2-16-12(15)10(7-13)6-9-4-3-5-11(9)17-8-14/h6H,2-5H2,1H3/b10-6-
InChIKey FBGLOYPEHSMRTJ-POHAHGRESA-N
Mol Weight 248.3 g/mol
Molecular Formula C12H12N2O2S
Exact Mass 248.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DENlZqMs0Mm
Name Ethyl (2Z)-2-cyano-3-[2-(cyanosulfanyl)-1-cyclopenten-1-yl]-2-propenoate
Alternate Name(s) (Z)-2-cyano-3-(2-thiocyanato-1-cyclopentenyl)-2-propenoic acid ethyl ester (Z)-2-cyano-3-(2-thiocyanatocyclopenten-1-yl)acrylic acid ethyl ester 2-Propenoic acid, 2-cyano-3-(2-thiocyanatocyclopent-1-en-1-yl)-, ethyl ester Ethyl (Z)-2-cyano-3-(2-thiocyanatocyclopenten-1-yl)prop-2-enoate
CAS Registry Number 111278-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2S
InChI InChI=1S/C12H12N2O2S/c1-2-16-12(15)10(7-13)6-9-4-3-5-11(9)17-8-14/h6H,2-5H2,1H3/b10-6-
InChIKey FBGLOYPEHSMRTJ-POHAHGRESA-N
Molecular Weight 248.300 g/mol
SMILES C1(\C=C/(C(=O)OCC)C#N)=C(SC#N)CCC1
SPLASH splash10-01ox-0900000000-a7f713b66dbdbeeba300
Source of Spectrum O-22-130-0
Wiley ID 1250746