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(+-)-[1-.alpha.(E),2-.beta.]-Methyl 4-(2-hydroxy-2-methylcyclohexyl)-2-[2-(phenylseleno)ethyl]-2-butenoate
SpectraBase Compound ID HjcgxNETGt6
InChI InChI=1S/C20H28O3Se/c1-20(22)14-7-6-8-17(20)12-11-16(19(21)23-2)13-15-24-18-9-4-3-5-10-18/h3-5,9-11,17,22H,6-8,12-15H2,1-2H3/b16-11+/t17-,20-/m1/s1
InChIKey AYDQROZGCODJLK-XVPIGVPKSA-N
Mol Weight 395.41 g/mol
Molecular Formula C20H28O3Se
Exact Mass 396.120367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58wY5J0X47h
Name (+-)-[1-.alpha.(E),2-.beta.]-Methyl 4-(2-hydroxy-2-methylcyclohexyl)-2-[2-(phenylseleno)ethyl]-2-butenoate
CAS Registry Number 76248-74-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3Se
InChI InChI=1S/C20H28O3Se/c1-20(22)14-7-6-8-17(20)12-11-16(19(21)23-2)13-15-24-18-9-4-3-5-10-18/h3-5,9-11,17,22H,6-8,12-15H2,1-2H3/b16-11+/t17-,20-/m1/s1
InChIKey AYDQROZGCODJLK-XVPIGVPKSA-N
Molecular Weight 395.413 g/mol
SMILES O[C@]1([C@@](C\C=C\(C(=O)OC)CC[Se]c2ccccc2)(CCCC1)[H])C
SPLASH splash10-000i-0590000000-8d932e81fc38dc649dc5
Source of Spectrum J-46-1202-0
Synonyms Methyl (2E)-4-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]-2-[2-(phenylselanyl)ethyl]-2-butenoate
Wiley ID 1367370