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3,4-Dimethyl-1-pentanol
SpectraBase Compound ID 6fOC0C78r9O
InChI InChI=1S/C7H16O/c1-6(2)7(3)4-5-8/h6-8H,4-5H2,1-3H3
InChIKey SVJNECJVNWTYQG-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 DeafTAlbbJh
Name 3,4-Dimethyl-1-pentanol
Alternate Name(s) 1-Pentanol, 3,4-dimethyl- (S)-3,4-Dimethylpentanol 3,4-dimethylpentan-1-ol
CAS Registry Number 20180-66-9
Comments Removed - expert review: contamination (CHCl3); A corrected record has been addded having SpectrumID: 1821418
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H16O
InChI InChI=1S/C7H16O/c1-6(2)7(3)4-5-8/h6-8H,4-5H2,1-3H3
InChIKey SVJNECJVNWTYQG-UHFFFAOYSA-N
Molecular Weight 116.204 g/mol
SMILES OCCC(C)C(C)C
SPLASH splash10-0a4l-9000000000-54389a6834fee49b5789
Source of Spectrum F-42-2241-0
Wiley ID 1126002