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Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 2-(methylthio)-, ethyl ester
SpectraBase Compound ID 5jHjBmyMBT5
InChI InChI=1S/C12H18O2S/c1-3-14-11(13)12(15-2)8-9-4-6-10(12)7-5-9/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKey JXCWYUOZAVPHLJ-UHFFFAOYSA-N
Mol Weight 226.33 g/mol
Molecular Formula C12H18O2S
Exact Mass 226.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkXCeAnE2wn
Name Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 2-(methylthio)-, ethyl ester
CAS Registry Number 60774-53-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2S
InChI InChI=1S/C12H18O2S/c1-3-14-11(13)12(15-2)8-9-4-6-10(12)7-5-9/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKey JXCWYUOZAVPHLJ-UHFFFAOYSA-N
Molecular Weight 226.334 g/mol
SMILES C1(C(=O)OCC)(C2C=CC(C1)CC2)SC
SPLASH splash10-005a-9800000000-410da58e2dd5b11d1244
Source of Spectrum C-98-4897-0
Synonyms 2-Ethoxycarbonyl-2-methylthio-5-bicyclo(2.2.2)octene Ethyl 2-(methylsulfanyl)bicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1227201