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Benzoic acid, 3,4,5-trihydroxy-, 1-methyl-2-oxopropyl ester
SpectraBase Compound ID C1oK8opRNTp
InChI InChI=1S/C11H12O6/c1-5(12)6(2)17-11(16)7-3-8(13)10(15)9(14)4-7/h3-4,6,13-15H,1-2H3
InChIKey QGHKLYWATOLWIR-UHFFFAOYSA-N
Mol Weight 240.21 g/mol
Molecular Formula C11H12O6
Exact Mass 240.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RAsFFXNJ4s
Name 1-Methyl-2-oxopropyl 3,4,5-trihydroxybenzoate
CAS Registry Number 26818-10-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O6
InChI InChI=1S/C11H12O6/c1-5(12)6(2)17-11(16)7-3-8(13)10(15)9(14)4-7/h3-4,6,13-15H,1-2H3
InChIKey QGHKLYWATOLWIR-UHFFFAOYSA-N
Molecular Weight 240.211 g/mol
SMILES Oc1cc(cc(c1O)O)C(=O)OC(C)C(C)=O
SPLASH splash10-0udi-3920000000-537ed0aa30ed0c675dad
Source of Spectrum W5-0-0-0
Synonyms 3,4,5-trihydroxybenzoic acid (2-keto-1-methyl-propyl) ester 3,4,5-trihydroxybenzoic acid 3-oxobutan-2-yl ester 3-Oxidanylidenebutan-2-yl 3,4,5-tris(oxidanyl)benzoate 3-Oxobutan-2-yl 3,4,5-trihydroxybenzoate Benzoic acid, 3,4,5-trihydroxy-, 1-methyl-2-oxopropyl ester
Wiley ID 1242516