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3-METHYL-1-PHENYLBUTANE-1,4-DIOL;DIASTEREOMER_A;MAJOR_DIASTEREOMER
SpectraBase Compound ID 7I2Va5DQsMt
InChI InChI=1S/C11H16O2/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3
InChIKey STCQQLBAPJKVAW-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 8j0qjJIHWBP
Name 3-Methyl-1-phenyl-1,4-butanediol
CAS Registry Number 30414-28-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3
InChIKey STCQQLBAPJKVAW-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES OC(CC(CO)C)c1ccccc1
SPLASH splash10-0a6r-6900000000-30842459bf07e593983e
Synonyms 1,4-Butanediol, 3-methyl-1-phenyl- 3-Methyl-1-phenyl-butane-1,4-diol
Wiley ID 1490077