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L-p-[2-BENZAMIDO-3-(p-HYDROXYPHENYL)PROPIONAMIDO]BENZOIC ACID,MONOSODIUM SALT, SESQUIHYDRATE

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L-p-[2-BENZAMIDO-3-(p-HYDROXYPHENYL)PROPIONAMIDO]BENZOIC ACID,MONOSODIUM SALT, SESQUIHYDRATE
SpectraBase Compound ID AoPVtn2mKgr
InChI InChI=1S/2C23H20N2O5.2Na.3H2O/c2*26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30;;;;;/h2*1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30);;;3*1H2/q;;2*+1;;;/p-2
InChIKey VYDSLOZZGJHFKS-UHFFFAOYSA-L
Mol Weight 906.853 g/mol
Molecular Formula C46H44N4Na2O13
Exact Mass 906.270026 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GXG5T5cNhac
Name L-p-[2-BENZAMIDO-3-(p-HYDROXYPHENYL)PROPIONAMIDO]BENZOIC ACID,MONOSODIUM SALT, SESQUIHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 41748-47-4
Comments Tentative assignment; CHCl3-From protonation of solvent
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19N2NaO5 1.5H2O
InChI InChI=1S/2C23H20N2O5.2Na.3H2O/c2*26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30;;;;;/h2*1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30);;;3*1H2/q;;2*+1;;;/p-2
InChIKey VYDSLOZZGJHFKS-UHFFFAOYSA-L
Melting Point 210C (dec.)
Molecular Weight 453.44
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, P-/2-BENZAMIDO- 3-/P-HYDROXYPHENYL/PROPIONAMIDO/-, MONOSODIUM SALT, SESQUIHYDRATE, L-,