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4,4',4''-phosphoryltribenzoic acid

View entire compound with spectra: 2 MS (GC)

4,4',4''-phosphoryltribenzoic acid
SpectraBase Compound ID BKB4CVrRUp8
InChI InChI=1S/C21H15O7P/c22-19(23)13-1-7-16(8-2-13)29(28,17-9-3-14(4-10-17)20(24)25)18-11-5-15(6-12-18)21(26)27/h1-12H,(H,22,23)(H,24,25)(H,26,27)
InChIKey HINHOAXLSUHLCR-UHFFFAOYSA-N
Mol Weight 410.32 g/mol
Molecular Formula C21H15O7P
Exact Mass 410.05554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXHQg2ibVN6
Name 4,4',4''-PHOSPHORYLTRIBENZOIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H15O7P
InChI InChI=1S/C21H15O7P/c22-19(23)13-1-7-16(8-2-13)29(28,17-9-3-14(4-10-17)20(24)25)18-11-5-15(6-12-18)21(26)27/h1-12H,(H,22,23)(H,24,25)(H,26,27)
InChIKey HINHOAXLSUHLCR-UHFFFAOYSA-N
Molecular Weight 410.0551
SMILES OC(c1ccc(P(c2ccc(C(O)=O)cc2)(=O)c2ccc(C(O)=O)cc2)cc1)=O
SPLASH splash10-0f96-9420000000-861fec13e400c1c8e527
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