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2,5-Anhydro-3,4-dideoxy-2-thiohexaric acid
SpectraBase Compound ID 5SIO6JlEe67
InChI InChI=1S/C6H8O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKey VZKPHLAASBCFGX-UHFFFAOYSA-N
Mol Weight 176.19 g/mol
Molecular Formula C6H8O4S
Exact Mass 176.01433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5S9gix5JzMg
Name 2,5-THIOPHENEDICARBOXYLIC ACID, TETRAHYDRO-
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 176.014329908 u
Formula C6H8O4S
InChI InChI=1S/C6H8O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKey VZKPHLAASBCFGX-UHFFFAOYSA-N
Molecular Weight 176.186 g/mol
Nominal Mass 176 u
Number of Peaks 54
SMILES OC(C1SC(C(O)=O)CC1)=O
SPLASH splash10-000i-9200000000-1425c7b4ecb6b8553866
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000935