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Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester
SpectraBase Compound ID 226rC9bQx2Z
InChI InChI=1S/C11H20O4S/c1-4-14-10(12)7-6-9(3)16-8-11(13)15-5-2/h9H,4-8H2,1-3H3
InChIKey ADEVUMSKUFQWSV-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C11H20O4S
Exact Mass 248.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6phVRwLzBVo
Name Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester
CAS Registry Number 54751-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O4S
InChI InChI=1S/C11H20O4S/c1-4-14-10(12)7-6-9(3)16-8-11(13)15-5-2/h9H,4-8H2,1-3H3
InChIKey ADEVUMSKUFQWSV-UHFFFAOYSA-N
Molecular Weight 248.337 g/mol
SMILES C(C(SCC(OCC)=O)C)CC(OCC)=O
SPLASH splash10-0ldi-8910000000-0a5be4d4ede2f225ca3e
Source of Spectrum SD-1981-0-0
Synonyms Ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanyl]pentanoate 4-[(2-ethoxy-2-keto-ethyl)thio]valeric acid ethyl ester 4-[(2-ethoxy-2-oxoethyl)thio]pentanoic acid ethyl ester Ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylpentanoate Ethyl 4-(2-ethoxy-2-oxoethyl)sulfanylpentanoate
Wiley ID 1250632