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4-Heptanol, 2,6-dimethyl-4-propyl-
SpectraBase Compound ID KO9Kx4kPnFe
InChI InChI=1S/C12H26O/c1-6-7-12(13,8-10(2)3)9-11(4)5/h10-11,13H,6-9H2,1-5H3
InChIKey NUBHTZIKPVDNLE-UHFFFAOYSA-N
Mol Weight 186.34 g/mol
Molecular Formula C12H26O
Exact Mass 186.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID It5UnOzTK9e
Name 4-Heptanol, 2,6-dimethyl-4-propyl-
CAS Registry Number 54774-83-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H26O
InChI InChI=1S/C12H26O/c1-6-7-12(13,8-10(2)3)9-11(4)5/h10-11,13H,6-9H2,1-5H3
InChIKey NUBHTZIKPVDNLE-UHFFFAOYSA-N
Molecular Weight 186.339 g/mol
SMILES OC(CC(C)C)(CC(C)C)CCC
SPLASH splash10-05r3-9500000000-769b0e1fb6447ac7acee
Source of Spectrum JX-2015-6-8421
Synonyms 2,6-Dimethyl-4-propyl-4-heptanol 1,1-Diisobutyl-1-butanol 2,6-Dimethyl-4-propyl-heptan-4-ol 2,6-Dimethyl-4-propylheptan-4-ol
Wiley ID 1729923