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3-Phenyl-6,7-dihydro-5H-1,4-dithiepin-2-yl acetate
SpectraBase Compound ID 2eUUyYoH8Tn
InChI InChI=1S/C13H14O2S2/c1-10(14)15-13-12(16-8-5-9-17-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKey NUWNHMSMNVXZSK-UHFFFAOYSA-N
Mol Weight 266.37 g/mol
Molecular Formula C13H14O2S2
Exact Mass 266.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HmIpZypMOs
Name ACETIC ACID, 3-PHENYL-6,7-DIHYDRO-5H-[1,4]DITHIEPIN-2-YL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14O2S2
InChI InChI=1S/C13H14O2S2/c1-10(14)15-13-12(16-8-5-9-17-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKey NUWNHMSMNVXZSK-UHFFFAOYSA-N
Molecular Weight 266.0432
SMILES C1SC(c2ccccc2)=C(OC(C)=O)SCC1
SPLASH splash10-05i0-5980000000-4ec6c51296c4df6e9e8f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany