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1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-(3-formyl-2,4-dihydroxy-6-methylphenyl) 3-(phenylmethyl) ester

View entire compound with spectra: 1 MS (GC)

1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-(3-formyl-2,4-dihydroxy-6-methylphenyl) 3-(phenylmethyl) ester
SpectraBase Compound ID C90DKkC10Xv
InChI InChI=1S/C25H22O9/c1-13-10-18(32-3)20(24(30)33-12-15-7-5-4-6-8-15)22(29)19(13)25(31)34-23-14(2)9-17(27)16(11-26)21(23)28/h4-11,27-29H,12H2,1-3H3
InChIKey HHSRIJSJGHJQFK-UHFFFAOYSA-N
Mol Weight 466.44 g/mol
Molecular Formula C25H22O9
Exact Mass 466.126382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYsq4T89RQO
Name 1,3-Benzenedicarboxylic acid, 2-hydroxy-4-methoxy-6-methyl-, 1-(3-formyl-2,4-dihydroxy-6-methylphenyl) 3-(phenylmethyl) ester
Alternate Name(s) (3-formyl-2,4-dihydroxy-5-methyl)phenyl[3-(benzyloxycarbonyl)-2-hydroxy-2-methoxy-4-methyl]benzoate 3-Benzyl 1-(3-formyl-2,4-dihydroxy-6-methylphenyl) 2-hydroxy-4-methoxy-6-methylisophthalate
CAS Registry Number 118975-24-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O9
InChI InChI=1S/C25H22O9/c1-13-10-18(32-3)20(24(30)33-12-15-7-5-4-6-8-15)22(29)19(13)25(31)34-23-14(2)9-17(27)16(11-26)21(23)28/h4-11,27-29H,12H2,1-3H3
InChIKey HHSRIJSJGHJQFK-UHFFFAOYSA-N
Molecular Weight 466.442 g/mol
SMILES Oc1c(c(c(c(c1)C)OC(c1c(c(C(OCc2ccccc2)=O)c(cc1C)OC)O)=O)O)C=O
SPLASH splash10-01ox-3910000000-33c2357faa48c9fb684b
Source of Spectrum H-71-880-24
Wiley ID 1391927