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2-Thiophenecarboxylicacid,butyl ester
SpectraBase Compound ID JExpEzzce79
InChI InChI=1S/C9H12O2S/c1-2-3-6-11-9(10)8-5-4-7-12-8/h4-5,7H,2-3,6H2,1H3
InChIKey VUSZPSYSKPXZQL-UHFFFAOYSA-N
Mol Weight 184.25 g/mol
Molecular Formula C9H12O2S
Exact Mass 184.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Rs8BpKzc1s
Name Butyl thiophene-2-carboxylate
CAS Registry Number 56053-84-0
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 184.055800798 u
Formula C9H12O2S
InChI InChI=1S/C9H12O2S/c1-2-3-6-11-9(10)8-5-4-7-12-8/h4-5,7H,2-3,6H2,1H3
InChIKey VUSZPSYSKPXZQL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 184.253 g/mol
Nominal Mass 184 u
Quality 991
Retention Index 1275
SMILES C=1(C(OCCCC)=O)SC=CC1
SPLASH splash10-03fr-4900000000-c9824914d6d0b26dc0d8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-Thiophenecarboxylicacid,butyl ester
Technique GC/MS
Wiley ID DD2024_029483