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1,3-Cyclohexanediol, 2,2-dimethyl-4-methylene-, (1S-trans)-
SpectraBase Compound ID 1dYEmKlLzk9
InChI InChI=1S/C9H16O2/c1-6-4-5-7(10)9(2,3)8(6)11/h7-8,10-11H,1,4-5H2,2-3H3/t7-,8-/m0/s1
InChIKey VQLUQNRYYZEGIJ-YUMQZZPRSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ttczAzT1zH
Name 1,3-Cyclohexanediol, 2,2-dimethyl-4-methylene-, (1S-trans)-
CAS Registry Number 79400-62-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-6-4-5-7(10)9(2,3)8(6)11/h7-8,10-11H,1,4-5H2,2-3H3/t7-,8-/m0/s1
InChIKey VQLUQNRYYZEGIJ-YUMQZZPRSA-N
Molecular Weight 156.225 g/mol
SMILES O[C@@]1(C([C@](C(CC1)=C)(O)[H])(C)C)[H]
SPLASH splash10-006x-9200000000-dbd393b717e93f95c246
Source of Spectrum H-64-954-0
Synonyms (+)-(1S,3S)-2,2-Dimethyl-4-methylidenecyclohexane-1,3-diol (1S,3S)-2,2-dimethyl-4-methylene-1,3-cyclohexanediol
Wiley ID 1153740