For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-(Benzyl)-1,3-butanediol

View entire compound with spectra: 2 MS (GC)

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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8O17CbdJF99
Name 2-(Benzyl)-1,3-butanediol
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 splash10-0005-9100000000-5de85ddfab080ab0ea0d
Source of Spectrum F-51-11450-1
Synonyms 2-(Benzyl)-1,3-butanediol diastereoisomer 2-(Phenylmethyl)butane-1,3-diol
Wiley ID 793781