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2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-5,5-dimethyl-cyclohexane-1,3-dione
SpectraBase Compound ID EIrcYxO535a
InChI InChI=1S/C19H21NO2S/c1-4-20-14-7-5-6-8-17(14)23-18(20)10-9-13-15(21)11-19(2,3)12-16(13)22/h5-10H,4,11-12H2,1-3H3/b18-10+
InChIKey LGCZBRJOIWMMMI-VCHYOVAHSA-N
Mol Weight 327.44 g/mol
Molecular Formula C19H21NO2S
Exact Mass 327.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYl8o02qBHC
Name 2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-5,5-dimethyl-cyclohexane-1,3-dione
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Formula C19H21NO2S
InChI InChI=1S/C19H21NO2S/c1-4-20-14-7-5-6-8-17(14)23-18(20)10-9-13-15(21)11-19(2,3)12-16(13)22/h5-10H,4,11-12H2,1-3H3/b18-10+
InChIKey LGCZBRJOIWMMMI-VCHYOVAHSA-N
Molecular Weight 327.442 g/mol
SMILES c12N(\C(Sc1cccc2)=C/C=C1C(CC(CC1=O)(C)C)=O)CC
SPLASH splash10-0002-0901000000-665edcaf06a355d0312d
Source of Spectrum AH-125-103-11
Synonyms 2-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-5,5-dimethyl-cyclohexane-1,3-quinone
Wiley ID 1325562