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(1S,2S,4S)-1-(Hydroxymethyl)-4-(2-propenyl)-2-methylcyclohexan-1-ol Trimethylacetate
SpectraBase Compound ID 29kcOfXgoxq
InChI InChI=1S/C16H28O3/c1-6-7-13-8-9-16(11-17,12(2)10-13)19-14(18)15(3,4)5/h6,12-13,17H,1,7-11H2,2-5H3/t12-,13+,16+/m0/s1
InChIKey DFFMAZBOOKCYTQ-WOSRLPQWSA-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 6J4YjkczfeB
Name (1S,2S,4S)-1-(Hydroxymethyl)-4-(2-propenyl)-2-methylcyclohexan-1-ol Trimethylacetate
Alternate Name(s) (1S,2S,4S)-4-allyl-1-(hydroxymethyl)-2-methylcyclohexyl pivalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-6-7-13-8-9-16(11-17,12(2)10-13)19-14(18)15(3,4)5/h6,12-13,17H,1,7-11H2,2-5H3/t12-,13+,16+/m0/s1
InChIKey DFFMAZBOOKCYTQ-WOSRLPQWSA-N
Molecular Weight 268.397 g/mol
SMILES OC[C@@]1(OC(C(C)(C)C)=O)[C@](C[C@@](CC1)(CC=C)[H])(C)[H]
SPLASH splash10-0a4i-9500000000-e3152d0e97c9a891bdfc
Source of Spectrum J-57-5033-6
Wiley ID 1272419