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4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)-
SpectraBase Compound ID Ll0wemgyoYO
InChI InChI=1S/C12H26O/c1-9(2)7-12(13,11(5)6)8-10(3)4/h9-11,13H,7-8H2,1-6H3
InChIKey MRVUYQAVPDEPRD-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 ITNQIBPolM9
Name 4-Heptanol, 2,6-dimethyl-4-(1-methylethyl)-
CAS Registry Number 54775-01-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H26O
InChI InChI=1S/C12H26O/c1-9(2)7-12(13,11(5)6)8-10(3)4/h9-11,13H,7-8H2,1-6H3
InChIKey MRVUYQAVPDEPRD-UHFFFAOYSA-N
Molecular Weight 186.339 g/mol
SMILES OC(CC(C)C)(CC(C)C)C(C)C
SPLASH splash10-0693-9200000000-d08e3ce57c965294bed2
Source of Spectrum JX-2015-6-4295
Synonyms 4-Isopropyl-2,6-dimethyl-4-heptanol 2,6-Dimethyl-4-propan-2-yl-4-heptanol 2,6-Dimethyl-4-isopropyl-4-heptanol 2,6-Dimethyl-4-propan-2-yl-heptan-4-ol 4-Isopropyl-2,6-dimethyl-heptan-4-ol 4-Isopropyl-2,6-dimethylheptan-4-ol 2,6-Dimethyl-4-propan-2-ylheptan-4-ol
Wiley ID 1728804