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(2R/S,3R)-3,7-Dimethyl-2-((1S)-1-methyl-2-cyclohexenyl)-6-octenoic Acid
SpectraBase Compound ID BKHm3laA9l9
InChI InChI=1S/C17H28O2/c1-13(2)9-8-10-14(3)15(16(18)19)17(4)11-6-5-7-12-17/h6,9,11,14-15H,5,7-8,10,12H2,1-4H3,(H,18,19)/t14-,15-,17-/m1/s1
InChIKey PAVOQCDDIKCRLM-BFYDXBDKSA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FGcnAYhKsf
Name (2R/S,3R)-3,7-Dimethyl-2-((1S)-1-methyl-2-cyclohexenyl)-6-octenoic Acid
Alternate Name(s) (2S,3R)-3,7-dimethyl-2-[(1S)-1-methyl-2-cyclohexen-1-yl]-6-octenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O2
InChI InChI=1S/C17H28O2/c1-13(2)9-8-10-14(3)15(16(18)19)17(4)11-6-5-7-12-17/h6,9,11,14-15H,5,7-8,10,12H2,1-4H3,(H,18,19)/t14-,15-,17-/m1/s1
InChIKey PAVOQCDDIKCRLM-BFYDXBDKSA-N
Molecular Weight 264.409 g/mol
SMILES OC([C@]([C@@]1(C=CCCC1)C)([C@@](CCC=C(C)C)(C)[H])[H])=O
SPLASH splash10-0002-9210000000-5be4c71f1628a597ae8e
Source of Spectrum F2-42-3549-19
Wiley ID 1600350