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Cycloheptanol, 3-(3,3-dimethylbutyl)-
SpectraBase Compound ID Kx5N5HhTglw
InChI InChI=1S/C13H26O/c1-13(2,3)9-8-11-6-4-5-7-12(14)10-11/h11-12,14H,4-10H2,1-3H3
InChIKey QYQTVINLLYYLPN-UHFFFAOYSA-N
Mol Weight 198.35 g/mol
Molecular Formula C13H26O
Exact Mass 198.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fqt58GRgaH
Name Cycloheptanol, 3-(3,3-dimethylbutyl)-
CAS Registry Number 40564-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O
InChI InChI=1S/C13H26O/c1-13(2,3)9-8-11-6-4-5-7-12(14)10-11/h11-12,14H,4-10H2,1-3H3
InChIKey QYQTVINLLYYLPN-UHFFFAOYSA-N
Molecular Weight 198.350 g/mol
SMILES OC1CC(CCCC1)CCC(C)(C)C
SPLASH splash10-0a4j-9100000000-b98eb205b501f2a01841
Source of Spectrum AC-73-347-3
Synonyms 3-(3,3-Dimethylbutyl)cycloheptanol 3-(3,3-dimethylbutyl)-1-cycloheptanol 3-(3,3-dimethylbutyl)cycloheptan-1-ol
Wiley ID 1196203