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(1S*,4R*,5R)-8-[(Methylthio)thiocarbonyl]oxy-1,3,3-trimethyl-6-ethoxycarbonylbicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID EwuPi9uZS9Z
InChI InChI=1S/C16H22O4S2/c1-6-19-12(17)10-7-9-11(20-14(21)22-5)8-16(10,4)13(18)15(9,2)3/h7,9,11H,6,8H2,1-5H3/t9-,11+,16-/m0/s1
InChIKey BOJHHMXFWQBXOB-ZXLZKYRFSA-N
Mol Weight 342.47 g/mol
Molecular Formula C16H22O4S2
Exact Mass 342.095952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53y0pIJJZI
Name (1S*,4R*,5R)-8-[(Methylthio)thiocarbonyl]oxy-1,3,3-trimethyl-6-ethoxycarbonylbicyclo[2.2.2]oct-5-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4S2
InChI InChI=1S/C16H22O4S2/c1-6-19-12(17)10-7-9-11(20-14(21)22-5)8-16(10,4)13(18)15(9,2)3/h7,9,11H,6,8H2,1-5H3/t9-,11+,16-/m0/s1
InChIKey BOJHHMXFWQBXOB-ZXLZKYRFSA-N
Molecular Weight 342.468 g/mol
SMILES [C@@]12(C(=C[C@@]([C@@](C2)(OC(=S)SC)[H])(C(C1=O)(C)C)[H])C(=O)OCC)C
SPLASH splash10-0btc-7590000000-a1931771b9aa2ad291d4
Source of Spectrum F-69-453-10
Synonyms Ethyl 1,5,5-trimethyl-8-{[(methylsulfanyl)carbothioyl]oxy}-6-oxobicyclo[2.2.2]oct-2-ene-2-carboxylate
Wiley ID 1594555