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1,5-Pentanediol, 3-methyl-3-(3-methylphenyl)-

View entire compound with spectra: 1 MS (GC)

1,5-Pentanediol, 3-methyl-3-(3-methylphenyl)-
SpectraBase Compound ID IkVHmazPuAR
InChI InChI=1S/C13H20O2/c1-11-4-3-5-12(10-11)13(2,6-8-14)7-9-15/h3-5,10,14-15H,6-9H2,1-2H3
InChIKey IGUQQOGNWBZNIN-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wiAdnvOwaw
Name 1,5-Pentanediol, 3-methyl-3-(3-methylphenyl)-
Alternate Name(s) 3-Methyl-3-(3-methylphenyl)-1,5-pentanediol 3-Methyl-3-(3-methylphenyl)pentanediol
CAS Registry Number 96184-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-11-4-3-5-12(10-11)13(2,6-8-14)7-9-15/h3-5,10,14-15H,6-9H2,1-2H3
InChIKey IGUQQOGNWBZNIN-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES OCCC(CCO)(c1cc(C)ccc1)C
SPLASH splash10-090s-1910000000-f64d3538f7054d0271f6
Source of Spectrum K-118-835-24
Wiley ID 1207268