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Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IrBiAVSNxK
Name Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.105252913 u
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 C=1(C(OC=2C=C(O)C(=C(C2)C)C(=O)OC)=O)C(=C(C)C(=CC1C)O)O