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1,3-Propanediol, monobenzoate

View entire compound with spectra: 2 MS (GC)

1,3-Propanediol, monobenzoate
SpectraBase Compound ID IdkTiex2EUi
InChI InChI=1S/C10H12O3/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2
InChIKey BZISNWGGPWSXTK-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVqVA5BWMTY
Name 1,3-Propanediol, monobenzoate
CAS Registry Number 6946-99-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2
InChIKey BZISNWGGPWSXTK-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
SMILES OCCCOC(=O)c1ccccc1
SPLASH splash10-0ab9-0900000000-db7fb2a5c3bcecff98d3
Source of Spectrum KC-1990-2829-20
Synonyms 3-Hydroxypropyl benzoate 1-O-benzoyl-1,3-propanediol 3-Oxidanylpropyl benzoate benzoic acid 3-hydroxypropyl ester AI3-06378
Wiley ID 1176251