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2-(Benzyl)-1,3-butanediol
SpectraBase Compound ID Lsb5mJ4VFmo
InChI InChI=1S/C11H16O2/c1-9(13)11(8-12)7-10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3
InChIKey AOTDYWQGWQOSSL-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 2BW7V0T4PhU
Name 2-(Benzyl)-1,3-butanediol
Alternate Name(s) 2-(Benzyl)-1,3-butanediol diastereoisomer 2-(Phenylmethyl)butane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-9(13)11(8-12)7-10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3
InChIKey AOTDYWQGWQOSSL-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES OC(C(CO)Cc1ccccc1)C
SPLASH splash10-0005-9000000000-2839589f2f1c4e6f23eb
Source of Spectrum F-51-11450-1
Wiley ID 793782