1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, [S-(R*,R*)]- - Optional[MS (GC)] - Spectrum - SpectraBase

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1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, [S-(R*,R*)]-

SpectraBase Compound ID	8BKeY1XK1F2
InChI	InChI=1S/C16H26O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,11-13H,5-6,8-10H2,1-4H3/t12-,13+/m0/s1
InChIKey	IIWNDLDEVPJIBT-QWHCGFSZSA-N Google Search
Mol Weight	266.38 g/mol
Molecular Formula	C16H26O3
Exact Mass	266.188195 g/mol

Mass Spectrum (GC)

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Mass Spectrum (GC)

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SpectraBase Spectrum ID	7qE58TtLzPf
Name	1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, [S-(R,R)]-
Alternate Name(s)	Methyl 4-(1,5-dimethyl-3-oxohexyl)-1-cyclohexene-1-carboxylate (+)-Juvabione (-)-Juvabione 1-Cycloheane-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, (r-(R,R))- 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, (1R,4R)-(+)- 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, (1S,4S)-(-)- 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, [R-(R,R)]- 4-(3-keto-1,5-dimethyl-hexyl)cyclohexene-1-carboxylic acid methyl ester 4-(6-Methyl-4-oxoheptan-2-yl)-1-cyclohexenecarboxylic acid methyl ester Juvabionine Methyl (r-(R,R))-4-(1,5-dimethyl-3-oxohexyl)-1-cycloheane-1-carboxylate Methyl 4-(1,5-dimethyl-3-oxo-hexyl)cyclohexene-1-carboxylate Methyl 4-(6-methyl-4-oxidanylidene-heptan-2-yl)cyclohexene-1-carboxylate Methyl 4-(6-methyl-4-oxoheptan-2-yl)cyclohexene-1-carboxylate (4S)-4-[(2S)-6-methyl-4-oxoheptan-2-yl]-1-cyclohexenecarboxylic acid methyl ester Methyl (4S)-4-[(2S)-6-methyl-4-oxoheptan-2-yl]cyclohexene-1-carboxylate Methyl (4S)-4-[(1S)-1,5-dimethyl-3-oxo-hexyl]cyclohexene-1-carboxylate Methyl (4S)-4-[(2S)-6-methyl-4-oxidanylidene-heptan-2-yl]cyclohexene-1-carboxylate
CAS Registry Number	26462-72-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H26O3
InChI	InChI=1S/C16H26O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,11-13H,5-6,8-10H2,1-4H3/t12-,13+/m0/s1
InChIKey	IIWNDLDEVPJIBT-QWHCGFSZSA-N
Molecular Weight	266.381 g/mol
SMILES	C1(C(=O)OC)=CC[C@](CC1)([C@](CC(=O)CC(C)C)(C)[H])[H]
SPLASH	splash10-053r-5910000000-7101e9805b5cdef98951
Source of Spectrum	KC-0-100-3
Wiley ID	829806