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2-Heptyl-4-(4-methoxy-2-methyl-6-oxidanyl-phenyl)carbonyloxy-6-oxidanyl-benzoic acid
SpectraBase Compound ID FXOUTe4wtb7
InChI InChI=1S/C23H28O7/c1-4-5-6-7-8-9-15-11-17(13-19(25)21(15)22(26)27)30-23(28)20-14(2)10-16(29-3)12-18(20)24/h10-13,24-25H,4-9H2,1-3H3,(H,26,27)
InChIKey LNAYIVMXSQCRRC-UHFFFAOYSA-N
Mol Weight 416.47 g/mol
Molecular Formula C23H28O7
Exact Mass 416.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8Thigk0O3i
Name 2-Heptyl-4-(4-methoxy-2-methyl-6-oxidanyl-phenyl)carbonyloxy-6-oxidanyl-benzoic acid
Alternate Name(s) 2-Heptyl-6-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]benzoic acid 2-Heptyl-6-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylphenyl)-oxomethoxy]benzoic acid 2-Heptyl-6-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxybenzoic acid
CAS Registry Number 529-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O7
InChI InChI=1S/C23H28O7/c1-4-5-6-7-8-9-15-11-17(13-19(25)21(15)22(26)27)30-23(28)20-14(2)10-16(29-3)12-18(20)24/h10-13,24-25H,4-9H2,1-3H3,(H,26,27)
InChIKey LNAYIVMXSQCRRC-UHFFFAOYSA-N
Molecular Weight 416.470 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCCCCCC)OC(c1c(cc(cc1C)OC)O)=O
SPLASH splash10-00di-0900000000-a9dac2d292734b03fb27
Source of Spectrum B-40-428-1
Wiley ID 1376362