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1,6-Dimethyl 2,5-anhydro-3,4-dideoxy-2-thiohexarate

View entire compound with spectra: 4 MS (GC)

1,6-Dimethyl 2,5-anhydro-3,4-dideoxy-2-thiohexarate
SpectraBase Compound ID 9YISIk23X89
InChI InChI=1S/C8H12O4S/c1-11-7(9)5-3-4-6(13-5)8(10)12-2/h5-6H,3-4H2,1-2H3
InChIKey UBSQOGXCPUUNJW-UHFFFAOYSA-N
Mol Weight 204.24 g/mol
Molecular Formula C8H12O4S
Exact Mass 204.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UN5Gu11H05
Name 2,5-THIOPHENEDICARBOXYLIC ACID, TETRAHYDRO-, DIMETHYL ESTER
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 204.045630036 u
Formula C8H12O4S
InChI InChI=1S/C8H12O4S/c1-11-7(9)5-3-4-6(13-5)8(10)12-2/h5-6H,3-4H2,1-2H3
InChIKey UBSQOGXCPUUNJW-UHFFFAOYSA-N
Molecular Weight 204.240 g/mol
Nominal Mass 204 u
Number of Peaks 74
SMILES C1(SC(C(OC)=O)CC1)C(OC)=O
SPLASH splash10-0079-9600000000-730b5c7e4a522da4f0ed
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000994