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LODRGECCKZZTEQ-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 2 MS (GC)

LODRGECCKZZTEQ-UHFFFAOYSA-N
SpectraBase Compound ID JY7dQQKySdh
InChI InChI=1S/C10H14O2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey LODRGECCKZZTEQ-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ihi3QId3EXd
Name 1,3-Propanediol, 2-(phenylmethyl)-
CAS Registry Number 2612-30-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O2
InChI InChI=1S/C10H14O2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey LODRGECCKZZTEQ-UHFFFAOYSA-N
Molecular Weight 166.220 g/mol
SMILES OCC(CO)Cc1ccccc1
SPLASH splash10-00kf-9700000000-e1528ace365037ededb8
Synonyms 2-Benzyl-1,3-propanediol 2-(Phenylmethyl)propane-1,3-diol 2-Benzylpropane-1,3-diol
Wiley ID 1488897