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2-Phenyl[1,3]dithiane-2-carboxylic acid

View entire compound with spectra: 2 MS (GC)

2-Phenyl[1,3]dithiane-2-carboxylic acid
SpectraBase Compound ID CK5qc0yy4wf
InChI InChI=1S/C11H12O2S2/c12-10(13)11(14-7-4-8-15-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
InChIKey YBQDRTRZGHPPIJ-UHFFFAOYSA-N
Mol Weight 240.33 g/mol
Molecular Formula C11H12O2S2
Exact Mass 240.027872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bkch6YqwLK
Name 2-PHENYL[1,3]DITHIANE-2-CARBOXYLIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12O2S2
InChI InChI=1S/C11H12O2S2/c12-10(13)11(14-7-4-8-15-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
InChIKey YBQDRTRZGHPPIJ-UHFFFAOYSA-N
Molecular Weight 240.0276
SMILES OC(=O)C1(c2ccccc2)SCCCS1
SPLASH splash10-006t-4900000000-d94b7b00e5b0047b97be
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany