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5-Isopropyl-6,6-dimethyl-3-heptyne-2,5-diol
SpectraBase Compound ID 5RvVZhvUQEk
InChI InChI=1S/C12H22O2/c1-9(2)12(4)7-5-6-11(8-12)14-10(3)13/h9,11H,5-8H2,1-4H3/t11?,12-/m1/s1
InChIKey WMGFBUJIRDCHAA-PIJUOVFKSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32gxpbSVNY
Name 5-Isopropyl-6,6-dimethyl-3-heptyne-2,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-9(2)12(4)7-5-6-11(8-12)14-10(3)13/h9,11H,5-8H2,1-4H3/t11?,12-/m1/s1
InChIKey WMGFBUJIRDCHAA-PIJUOVFKSA-N
Molecular Weight 198.306 g/mol
SMILES [C@]1(CC(OC(=O)C)CCC1)(C(C)C)C
SPLASH splash10-000w-9100000000-4f19f959e8d687d833e3
Source of Spectrum PR-1453-0-0
Synonyms (3R)-3-isopropyl-3-methylcyclohexyl acetate 1R-menthyl acetate 5-isopropyl-6,6-dimethylhept-3-yne-2,5-diol
Wiley ID 1195905