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Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 2-(phenylthio)-, ethyl ester
SpectraBase Compound ID 3DK6hOeRKHi
InChI InChI=1S/C17H20O2S/c1-2-19-16(18)17(20-15-6-4-3-5-7-15)12-13-8-10-14(17)11-9-13/h3-8,10,13-14H,2,9,11-12H2,1H3
InChIKey FVCPIUGKNPSAIL-UHFFFAOYSA-N
Mol Weight 288.4 g/mol
Molecular Formula C17H20O2S
Exact Mass 288.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98QWsLc9eW7
Name Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 2-(phenylthio)-, ethyl ester
Alternate Name(s) Ethyl 2-(phenylsulfanyl)bicyclo[2.2.2]oct-5-ene-2-carboxylate Ethyl 2-(phenylthio)bicyclo(2.2.2)oct-5-en-2-carboxylate
CAS Registry Number 60774-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O2S
InChI InChI=1S/C17H20O2S/c1-2-19-16(18)17(20-15-6-4-3-5-7-15)12-13-8-10-14(17)11-9-13/h3-8,10,13-14H,2,9,11-12H2,1H3
InChIKey FVCPIUGKNPSAIL-UHFFFAOYSA-N
Molecular Weight 288.405 g/mol
SMILES C1(C(=O)OCC)(Sc2ccccc2)C2C=CC(C1)CC2
SPLASH splash10-05g0-5910000000-4e686e6d01454c05dcd5
Source of Spectrum C-98-4897-0
Wiley ID 1291795