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3-[[(E)-hex-1-enyl]thio]propanoic acid ethyl ester
SpectraBase Compound ID AY9RCWMWUpC
InChI InChI=1S/C11H20O2S/c1-3-5-6-7-9-14-10-8-11(12)13-4-2/h7,9H,3-6,8,10H2,1-2H3/b9-7+
InChIKey HLGWYBOKSIYEJH-VQHVLOKHSA-N
Mol Weight 216.34 g/mol
Molecular Formula C11H20O2S
Exact Mass 216.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ix8hWReBolQ
Name 3-[[(E)-hex-1-enyl]thio]propanoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O2S
InChI InChI=1S/C11H20O2S/c1-3-5-6-7-9-14-10-8-11(12)13-4-2/h7,9H,3-6,8,10H2,1-2H3/b9-7+
InChIKey HLGWYBOKSIYEJH-VQHVLOKHSA-N
Molecular Weight 216.339 g/mol
SMILES C(CCS\C=C\CCCC)(=O)OCC
SPLASH splash10-01j0-9320000000-c5eee7e25699bce0c542
Source of Spectrum J-61-6788-17
Synonyms 3-[[(E)-hex-1-enyl]thio]propionic acid ethyl ester Ethyl 3-[(E)-hex-1-enyl]sulfanylpropanoate
Wiley ID 1215301