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3-Methyl-5,6-dihydro-1,4-dithiine-2-carboxylic acid
SpectraBase Compound ID 3Fv0unNK4xp
InChI InChI=1S/C6H8O2S2/c1-4-5(6(7)8)10-3-2-9-4/h2-3H2,1H3,(H,7,8)
InChIKey XQDIRUSQHOYCIV-UHFFFAOYSA-N
Mol Weight 176.25 g/mol
Molecular Formula C6H8O2S2
Exact Mass 175.996572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JQuCsjSGu
Name 3-Methyl-5,6-dihydro-1,4-dithiine-2-carboxylic acid
Alternate Name(s) 5,6-Dihydro-2-methyl-1,4-dithiine-3-carboxylic acid 6-Methyl-2,3-dihydro-1,4-dithiin-5-carboxylic acid 6-Methyl-2,3-dihydro-1,4-dithiine-5-carboxylic acid
CAS Registry Number 35756-29-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8O2S2
InChI InChI=1S/C6H8O2S2/c1-4-5(6(7)8)10-3-2-9-4/h2-3H2,1H3,(H,7,8)
InChIKey XQDIRUSQHOYCIV-UHFFFAOYSA-N
Molecular Weight 176.248 g/mol
SMILES OC(C=1SCCSC1C)=O
SPLASH splash10-056r-6900000000-a8a8ec574f3198d2eb15
Source of Spectrum O-22-587-5
Wiley ID 1171833