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Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester
SpectraBase Compound ID AUnKH1qy8di
InChI InChI=1S/C16H16O4/c1-20-16(19)14-12(9-10-13(17)15(14)18)8-7-11-5-3-2-4-6-11/h2-6,9-10,17-18H,7-8H2,1H3
InChIKey KQPKQEMLEREDSE-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAA2gMJAJ51
Name Benzoic acid, 2,3-dihydroxy-6-(2-phenylethyl)-, methyl ester
Alternate Name(s) Methyl 2,3-dihydroxy-6-(2-phenylethyl)benzoate 2,3-Dihydroxy-6-phenethyl-benzoic acid methyl ester 2,3-Dihydroxy-6-(2-phenylethyl)benzoic acid methyl ester
CAS Registry Number 75112-82-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-20-16(19)14-12(9-10-13(17)15(14)18)8-7-11-5-3-2-4-6-11/h2-6,9-10,17-18H,7-8H2,1H3
InChIKey KQPKQEMLEREDSE-UHFFFAOYSA-N
Molecular Weight 272.300 g/mol
SMILES Oc1c(c(ccc1O)CCc1ccccc1)C(=O)OC
SPLASH splash10-0a4i-0940000000-f401103910001bf9aecc
Source of Spectrum W5-24318-0-0
Wiley ID 1276245