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2,2''-Dimethoxy-2'-(phenylmethoxy)-3,3''-dicarboxy-5,5',5''-trimethyl-1,1':3',1''-terphenyl

View entire compound with spectra: 1 MS (GC)

2,2''-Dimethoxy-2'-(phenylmethoxy)-3,3''-dicarboxy-5,5',5''-trimethyl-1,1':3',1''-terphenyl
SpectraBase Compound ID Bhzi4SWNeeo
InChI InChI=1S/C32H30O7/c1-18-13-24(22-11-19(2)15-26(31(33)34)28(22)37-4)30(39-17-21-9-7-6-8-10-21)25(14-18)23-12-20(3)16-27(32(35)36)29(23)38-5/h6-16H,17H2,1-5H3,(H,33,34)(H,35,36)
InChIKey CXQODUIYBIHBEX-UHFFFAOYSA-N
Mol Weight 526.6 g/mol
Molecular Formula C32H30O7
Exact Mass 526.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lmM7OCDBDr
Name 2,2''-Dimethoxy-2'-(phenylmethoxy)-3,3''-dicarboxy-5,5',5''-trimethyl-1,1':3',1''-terphenyl
Alternate Name(s) 2,2''-dimethoxy-2'-(phenylmethoxy)-3,3''-dicarboxy-5,5',5''-trimethyl-1,1':3',1''-terphenyl 3-[2-(benzyloxy)-3-(3-carboxy-2-methoxy-5-methylphenyl)-5-methylphenyl]-2-methoxy-5-methylbenzoic acid
CAS Registry Number 84379-28-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H30O7
InChI InChI=1S/C32H30O7/c1-18-13-24(22-11-19(2)15-26(31(33)34)28(22)37-4)30(39-17-21-9-7-6-8-10-21)25(14-18)23-12-20(3)16-27(32(35)36)29(23)38-5/h6-16H,17H2,1-5H3,(H,33,34)(H,35,36)
InChIKey CXQODUIYBIHBEX-UHFFFAOYSA-N
Molecular Weight 526.585 g/mol
SMILES OC(c1c(c(-c2c(c(-c3c(c(C(=O)O)cc(c3)C)OC)cc(c2)C)OCc2ccccc2)cc(c1)C)OC)=O
SPLASH splash10-0006-0000900000-f8de20faa0c38b576a80
Source of Spectrum C-106-7162-0
Wiley ID 1402861