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3-Benzoylmethylene-4,5-dimethyl-3H-1,2-dithiole
SpectraBase Compound ID 3I15Q5gb9TG
InChI InChI=1S/C13H12OS2/c1-9-10(2)15-16-13(9)8-12(14)11-6-4-3-5-7-11/h3-8H,1-2H3/b13-8-
InChIKey ARXINBNCMWDTHA-JYRVWZFOSA-N
Mol Weight 248.36 g/mol
Molecular Formula C13H12OS2
Exact Mass 248.032957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rNBP1MqRJP
Name Ethanone, 2-(4,5-dimethyl-3H-1,2-dithiol-3-ylidene)-1-phenyl-
Alternate Name(s) (2E)-2-(4,5-Dimethyl-3H-1,2-dithiol-3-ylidene)-1-phenylethanone (2Z)-2-(4,5-dimethyl-1,2-dithiol-3-ylidene)-1-phenyl-ethanone (2Z)-2-(4,5-dimethyl-3-dithiolylidene)-1-phenylethanone (2Z)-2-(4,5-dimethyldithiol-3-ylidene)-1-phenyl-ethanone
CAS Registry Number 38489-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12OS2
InChI InChI=1S/C13H12OS2/c1-9-10(2)15-16-13(9)8-12(14)11-6-4-3-5-7-11/h3-8H,1-2H3/b13-8-
InChIKey ARXINBNCMWDTHA-JYRVWZFOSA-N
Molecular Weight 248.358 g/mol
SMILES CC1=C(C)\C(SS1)=C\C(=O)c1ccccc1
SPLASH splash10-052b-6970000000-3d33ed2e61488b31ac0b
Source of Spectrum S-26-1307-5
Wiley ID 1250841