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Cyclohexanecarboxylic acid, 2,2-dimethyl-6-[(phenylseleno)methyl]-, methyl ester, cis-(.+-.)-
SpectraBase Compound ID EQTcPfJPD27
InChI InChI=1S/C17H24O2Se/c1-17(2)11-7-8-13(15(17)16(18)19-3)12-20-14-9-5-4-6-10-14/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3/t13-,15-/m0/s1
InChIKey COUXUOQNXKWQJX-ZFWWWQNUSA-N
Mol Weight 339.35 g/mol
Molecular Formula C17H24O2Se
Exact Mass 340.094152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46mG3SlgsGH
Name Cyclohexanecarboxylic acid, 2,2-dimethyl-6-[(phenylseleno)methyl]-, methyl ester, cis-(.+-.)-
CAS Registry Number 122203-59-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O2Se
InChI InChI=1S/C17H24O2Se/c1-17(2)11-7-8-13(15(17)16(18)19-3)12-20-14-9-5-4-6-10-14/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3/t13-,15-/m0/s1
InChIKey COUXUOQNXKWQJX-ZFWWWQNUSA-N
Molecular Weight 339.349 g/mol
SMILES C([C@]1(C(CCC[C@]1(C[Se]c1ccccc1)[H])(C)C)[H])(=O)OC
SPLASH splash10-0089-3900000000-7ca686cb1a7c34730a81
Source of Spectrum H-71-1594-18
Synonyms Methyl (1R,6R)-2,2-dimethyl-6-[(phenylselanyl)methyl]cyclohexanecarboxylate Methyl (1RS,2SR)-[2,2-dimethyl-6-(phenylselenyl)cyclohexane-1-carboxylate
Wiley ID 1335000