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3-(3-Isopropylcyclohexyl)-butan-1-ol
SpectraBase Compound ID GpygaOSIhtx
InChI InChI=1S/C13H26O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h10-14H,4-9H2,1-3H3
InChIKey SUZRZZHACAAUKZ-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 4fo40M3uhkB
Name 3-(3-Isopropylcyclohexyl)-butan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O
InChI InChI=1S/C13H26O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h10-14H,4-9H2,1-3H3
InChIKey SUZRZZHACAAUKZ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 198.350 g/mol
SMILES OCCC(C1CC(C(C)C)CCC1)C
SPLASH splash10-05o0-9200000000-dc23e9ea8c116ea0f341
Sample Comments Mixture of diastereomers (1:1)
Source of Spectrum CN104736130A
Wiley ID 1850393