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5-Benzylidene-3,4-dichlorothiophen-2(5H)-one
SpectraBase Compound ID JpCpoNvnb7Z
InChI InChI=1S/C11H6Cl2OS/c12-9-8(15-11(14)10(9)13)6-7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKey LBIWFEHBFFHQIR-VURMDHGXSA-N
Mol Weight 257.13 g/mol
Molecular Formula C11H6Cl2OS
Exact Mass 255.951641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jxha5A16RUT
Name 5-Benzylidene-3,4-dichlorothiophen-2(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6Cl2OS
InChI InChI=1S/C11H6Cl2OS/c12-9-8(15-11(14)10(9)13)6-7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKey LBIWFEHBFFHQIR-VURMDHGXSA-N
Molecular Weight 257.134 g/mol
SMILES C1(=C(\C(=C\c2ccccc2)SC1=O)Cl)Cl
SPLASH splash10-0a4l-0940000000-f348a532fd825c5128ca
Source of Spectrum SB-47-135-9
Synonyms (5Z)-5-benzylidene-3,4-dichloro-2(5H)-thiophenone
Wiley ID 1259257