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5-Oxo-5-(2-thienyl)-valeric acid, ethyl ester

View entire compound with spectra: 1 MS (GC)

5-Oxo-5-(2-thienyl)-valeric acid, ethyl ester
SpectraBase Compound ID 5ioYMsJdDYh
InChI InChI=1S/C11H14O3S/c1-2-14-11(13)7-3-5-9(12)10-6-4-8-15-10/h4,6,8H,2-3,5,7H2,1H3
InChIKey CRFLJDDWCIWTNC-UHFFFAOYSA-N
Mol Weight 226.29 g/mol
Molecular Formula C11H14O3S
Exact Mass 226.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OTeVhjbt31
Name 5-Oxo-5-(2-thienyl)-valeric acid, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O3S
InChI InChI=1S/C11H14O3S/c1-2-14-11(13)7-3-5-9(12)10-6-4-8-15-10/h4,6,8H,2-3,5,7H2,1H3
InChIKey CRFLJDDWCIWTNC-UHFFFAOYSA-N
Molecular Weight 226.290 g/mol
SMILES c1(sccc1)C(=O)CCCC(=O)OCC
SPLASH splash10-03di-5900000000-5ba4da4d76240672dfad
Source of Spectrum T-67-2143-0
Synonyms Ethyl 5-oxo-5-(2-thienyl)pentanoate
Wiley ID 1227001