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4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol
SpectraBase Compound ID KSDf08AgNwz
InChI InChI=1S/C17H17ClOS2/c1-10-5-12-8-20-17(21-9-13(12)6-11(10)2)15-7-14(18)3-4-16(15)19/h3-7,17,19H,8-9H2,1-2H3
InChIKey MODBECAJIBMXLU-UHFFFAOYSA-N
Mol Weight 336.9 g/mol
Molecular Formula C17H17ClOS2
Exact Mass 336.040935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSbV9ZnKJSa
Name 4-Chloro-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol
CAS Registry Number 309286-89-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClOS2
InChI InChI=1S/C17H17ClOS2/c1-10-5-12-8-20-17(21-9-13(12)6-11(10)2)15-7-14(18)3-4-16(15)19/h3-7,17,19H,8-9H2,1-2H3
InChIKey MODBECAJIBMXLU-UHFFFAOYSA-N
Molecular Weight 336.895 g/mol
SMILES Oc1c(C2SCc3cc(C)c(cc3CS2)C)cc(cc1)Cl
SPLASH splash10-01vk-3910000000-420cf075d2f046de1c03
Source of Spectrum AD-0-2532-0
Synonyms 4-Chloranyl-2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenol Phenol, 4-chloro-2-(6,7-dimethylbenzo[e]dithiepan-2-yl)-
Wiley ID 1431420