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3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl benzoate
SpectraBase Compound ID HpdT2VEvHM9
InChI InChI=1S/C12H16O4/c1-12(7-13,8-14)9-16-11(15)10-5-3-2-4-6-10/h2-6,13-14H,7-9H2,1H3
InChIKey VSBHZCGIAPYHNH-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6z9BO1W3KZe
Name 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl benzoate
Alternate Name(s) 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, monobenzoate benzoic acid (3-hydroxy-2-methyl-2-methylol-propyl) ester benzoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] benzoate [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] benzoate
CAS Registry Number 69773-90-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-12(7-13,8-14)9-16-11(15)10-5-3-2-4-6-10/h2-6,13-14H,7-9H2,1H3
InChIKey VSBHZCGIAPYHNH-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES OCC(CO)(COC(c1ccccc1)=O)C
SPLASH splash10-0ab9-7900000000-979ee299680fe29224d7
Wiley ID 1486941