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Benzoic acid, 2,3-dihydroxy-6-methyl-4-(phenylmethoxy)-, ethyl ester
SpectraBase Compound ID nYzUZp4Kou
InChI InChI=1S/C17H18O5/c1-3-21-17(20)14-11(2)9-13(15(18)16(14)19)22-10-12-7-5-4-6-8-12/h4-9,18-19H,3,10H2,1-2H3
InChIKey JMZZXBHOTRHKNL-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51D54aO3Xm6
Name Benzoic acid, 2,3-dihydroxy-6-methyl-4-(phenylmethoxy)-, ethyl ester
Alternate Name(s) ethyl 4-(benzyloxy)-2,3-dihydroxy-6-methylbenzoate
CAS Registry Number 124281-13-6
Comments Less than 3 mono-isotopic peaks
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Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-3-21-17(20)14-11(2)9-13(15(18)16(14)19)22-10-12-7-5-4-6-8-12/h4-9,18-19H,3,10H2,1-2H3
InChIKey JMZZXBHOTRHKNL-UHFFFAOYSA-N
Molecular Weight 302.326 g/mol
SMILES Oc1c(cc(c(c1O)C(=O)OCC)C)OCc1ccccc1
SPLASH splash10-0006-9001000000-c781060d6ae2d4b9e166
Source of Spectrum B-42-768-10
Wiley ID 1304654