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Cyclohexanecarboxylic acid, 2-hydroxy-6-methyl-1-(4-methyl-3-pentenyl)-, ethyl ester, [1R-(1.alpha.,2.alpha.,6.alpha.)]-
SpectraBase Compound ID AA5E6ohn6h3
InChI InChI=1S/C16H28O3/c1-5-19-15(18)16(11-7-8-12(2)3)13(4)9-6-10-14(16)17/h8,13-14,17H,5-7,9-11H2,1-4H3/t13-,14+,16-/m1/s1
InChIKey HSUWSMZGQAOLFJ-IJEWVQPXSA-N
Mol Weight 268.4 g/mol
Molecular Formula C16H28O3
Exact Mass 268.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ooqmHSsZ7n
Name Cyclohexanecarboxylic acid, 2-hydroxy-6-methyl-1-(4-methyl-3-pentenyl)-, ethyl ester, [1R-(1.alpha.,2.alpha.,6.alpha.)]-
CAS Registry Number 127982-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-5-19-15(18)16(11-7-8-12(2)3)13(4)9-6-10-14(16)17/h8,13-14,17H,5-7,9-11H2,1-4H3/t13-,14+,16-/m1/s1
InChIKey HSUWSMZGQAOLFJ-IJEWVQPXSA-N
Molecular Weight 268.397 g/mol
SMILES O[C@@]1([C@](C(=O)OCC)([C@@](CCC1)(C)[H])CCC=C(C)C)[H]
SPLASH splash10-00lu-9400000000-a7db9baf26d1a66bbf96
Source of Spectrum H-72-1850-3
Synonyms Ethyl (1R,2S,6R)-1-(4-methylpent-3-enyl)-2-hydroxy-6-methylcyclohexanecarboxylate Ethyl (1R,2S,6R)-2-hydroxy-6-methyl-1-(4-methyl-3-pentenyl)cyclohexanecarboxylate
Wiley ID 1272412