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Cyclohexanecarboxylic acid, 2,2-dimethyl-6-[(phenylseleno)methyl]-, cis-(.+-.)-
SpectraBase Compound ID DW8JyWXQctK
InChI InChI=1S/C16H22O2Se/c1-16(2)10-6-7-12(14(16)15(17)18)11-19-13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,17,18)/t12-,14-/m0/s1
InChIKey AQUYAKHUAYZOJY-JSGCOSHPSA-N
Mol Weight 325.32 g/mol
Molecular Formula C16H22O2Se
Exact Mass 326.078502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEHPZheKkGH
Name Cyclohexanecarboxylic acid, 2,2-dimethyl-6-[(phenylseleno)methyl]-, cis-(.+-.)-
CAS Registry Number 122203-58-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2Se
InChI InChI=1S/C16H22O2Se/c1-16(2)10-6-7-12(14(16)15(17)18)11-19-13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,17,18)/t12-,14-/m0/s1
InChIKey AQUYAKHUAYZOJY-JSGCOSHPSA-N
Molecular Weight 325.322 g/mol
SMILES OC([C@]1(C(CCC[C@]1(C[Se]c1ccccc1)[H])(C)C)[H])=O
SPLASH splash10-01b9-5900000000-b697b8146b95215b0946
Source of Spectrum H-71-1594-17
Synonyms (1R,6R)-2,2-dimethyl-6-[(phenylselanyl)methyl]cyclohexanecarboxylic acid (1RS,2SR)-[2,2-dimethyl-6-(phenylselenyl)methylcyclohexane-1-carboxylic acid
Wiley ID 1324575