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Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester
SpectraBase Compound ID I6FcUp2WXAw
InChI InChI=1S/C18H18O7/c1-8-5-11(7-13(20)14(8)17(22)24-4)25-18(23)15-9(2)6-12(19)10(3)16(15)21/h5-7,19-21H,1-4H3
InChIKey XMJRFIFLGWMUTJ-UHFFFAOYSA-N
Mol Weight 346.34 g/mol
Molecular Formula C18H18O7
Exact Mass 346.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESCFFz4ajyq
Name Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester
CAS Registry Number 75422-05-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O7
InChI InChI=1S/C18H18O7/c1-8-5-11(7-13(20)14(8)17(22)24-4)25-18(23)15-9(2)6-12(19)10(3)16(15)21/h5-7,19-21H,1-4H3
InChIKey XMJRFIFLGWMUTJ-UHFFFAOYSA-N
Molecular Weight 346.335 g/mol
SMILES Oc1cc(OC(c2c(c(c(cc2C)O)C)O)=O)cc(c1C(=O)OC)C
SPLASH splash10-0w4s-3900000000-21de07f86f1c8cc3d562
Source of Spectrum W5-30608-0-0
Synonyms 3-Hydroxy-4-(methoxycarbonyl)-5-methylphenyl 2,4-dihydroxy-3,6-dimethylbenzoate 2,4-Dihydroxy-3,6-dimethylbenzoic acid (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) ester (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 2,4-dihydroxy-3,6-dimethylbenzoate (3-hydroxy-4-methoxycarbonyl-5-methyl-phenyl) 2,4-dihydroxy-3,6-dimethyl-benzoate (4-methoxycarbonyl-3-methyl-5-oxidanyl-phenyl) 3,6-dimethyl-2,4-bis(oxidanyl)benzoate
Wiley ID 1339149