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1-Hexanol, 4-methyl-

View entire compound with spectra: 2 NMR, and 4 MS (GC)

1-Hexanol, 4-methyl-
SpectraBase Compound ID Jg24FafP48z
InChI InChI=1S/C7H16O/c1-3-7(2)5-4-6-8/h7-8H,3-6H2,1-2H3
InChIKey YNPVNLWKVZZBTM-UHFFFAOYSA-N
Mol Weight 116.2 g/mol
Molecular Formula C7H16O
Exact Mass 116.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmEgHaDqe75
Name 1-Hexanol, 4-methyl-
CAS Registry Number 818-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H16O
InChI InChI=1S/C7H16O/c1-3-7(2)5-4-6-8/h7-8H,3-6H2,1-2H3
InChIKey YNPVNLWKVZZBTM-UHFFFAOYSA-N
Molecular Weight 116.204 g/mol
SMILES OCCCC(C)CC
SPLASH splash10-0avi-9000000000-bbfa9459f34f7cd67301
Source of Spectrum K1-2001-360-0
Synonyms 4-Methyl-1-hexanol 1-Hexanol, 4-methyl-, (S)- 4-Methylhexan-1-ol 4-Methylhexanol
Wiley ID 846747