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3-Methyl-1-phenylbutane-1,3-diol
SpectraBase Compound ID JAJeUcHNWkq
InChI InChI=1S/C11H16O2/c1-11(2,13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12-13H,8H2,1-2H3
InChIKey IZZXPXZRVVXKFU-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtrMF4018jq
Name 3-Methyl-1-phenylbutane-1,3-diol
Alternate Name(s) 3-Methyl-1-phenyl-1,3-butanediol 3-Methyl-1-phenyl-butane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-11(2,13)8-10(12)9-6-4-3-5-7-9/h3-7,10,12-13H,8H2,1-2H3
InChIKey IZZXPXZRVVXKFU-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES OC(CC(O)(C)C)c1ccccc1
SPLASH splash10-0a4i-9500000000-18c8b0f6c6944ebb79d0
Source of Spectrum SO-0-509-3
Wiley ID 876383