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methyl 2-cyano-3-[2-(dicyanomethylene)cyclopentyl]-3-methylsulfanyl-prop-2-enoate
SpectraBase Compound ID B1m4E6byBIe
InChI InChI=1S/C14H13N3O2S/c1-19-14(18)12(8-17)13(20-2)11-5-3-4-10(11)9(6-15)7-16/h11H,3-5H2,1-2H3
InChIKey NBIGVGUQOPLKDV-UHFFFAOYSA-N
Mol Weight 287.34 g/mol
Molecular Formula C14H13N3O2S
Exact Mass 287.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5fXbhBTkxx
Name methyl 2-cyano-3-[2-(dicyanomethylene)cyclopentyl]-3-methylsulfanyl-prop-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N3O2S
InChI InChI=1S/C14H13N3O2S/c1-19-14(18)12(8-17)13(20-2)11-5-3-4-10(11)9(6-15)7-16/h11H,3-5H2,1-2H3
InChIKey NBIGVGUQOPLKDV-UHFFFAOYSA-N
Instrument Name VG 7070E
Ionization Type EI positive ion
Literature Reference DOI 10.1016/S1044-0305(02)00905-4
Molecular Weight 287.337 g/mol
SMILES CSC(=C(C#N)C(OC)=O)C1C(=C(C#N)C#N)CCC1
SPLASH splash10-0059-2590000000-59592c86061f4574e935
Source of Spectrum A7-14-192-exo-11
Wiley ID 1859265