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5-(ethylthio)-5-[2'(methoxycarbonyl)ethyl]furan-2(5H)-one
SpectraBase Compound ID 4J6KnfIjpkZ
InChI InChI=1S/C10H14O4S/c1-3-15-10(6-4-8(11)13-2)7-5-9(12)14-10/h5,7H,3-4,6H2,1-2H3
InChIKey WJORJQGVXAQTOA-UHFFFAOYSA-N
Mol Weight 230.28 g/mol
Molecular Formula C10H14O4S
Exact Mass 230.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XCtsinecEn
Name 5-(ethylthio)-5-[2'(methoxycarbonyl)ethyl]furan-2(5H)-one
Alternate Name(s) Methyl 3-[2-(ethylsulfanyl)-5-oxo-2,5-dihydro-2-furanyl]propanoate
CAS Registry Number 114583-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4S
InChI InChI=1S/C10H14O4S/c1-3-15-10(6-4-8(11)13-2)7-5-9(12)14-10/h5,7H,3-4,6H2,1-2H3
InChIKey WJORJQGVXAQTOA-UHFFFAOYSA-N
Molecular Weight 230.278 g/mol
SMILES C1(OC(C=C1)=O)(SCC)CCC(=O)OC
SPLASH splash10-0a4i-1900000000-ec8c58172b499e300512
Source of Spectrum J-53-3333-5
Wiley ID 1231282