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2-Thiopheneacetic acid
SpectraBase Compound ID 3u6JV24anzA
InChI InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)
InChIKey SMJRBWINMFUUDS-UHFFFAOYSA-N
Mol Weight 142.17 g/mol
Molecular Formula C6H6O2S
Exact Mass 142.008851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8H0DnU7MRaS
Name 2-Thiopheneacetic acid
CAS Registry Number 1918-77-0
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 142.008850605 u
Formula C6H6O2S
InChI InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)
InChIKey SMJRBWINMFUUDS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 142.172 g/mol
Nominal Mass 142 u
Quality 998
Retention Index 975
SMILES OC(CC=1SC=CC1)=O
SPLASH splash10-0002-9200000000-0e6c727077efcbee3b91
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_028719