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Benzoic acid, 2-(1-isoquinolinylphenylmethyl)-
SpectraBase Compound ID Jz2ma2JINOy
InChI InChI=1S/C23H17NO2/c25-23(26)20-13-7-6-12-19(20)21(17-9-2-1-3-10-17)22-18-11-5-4-8-16(18)14-15-24-22/h1-15,21H,(H,25,26)
InChIKey PGOPFOUJHSYHBU-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C23H17NO2
Exact Mass 339.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7i6P1igINzU
Name Benzoic acid, 2-(1-isoquinolinylphenylmethyl)-
Alternate Name(s) 1-[.alpha.-(o-carbonxyphenyl)benzyl]isoquinoline 2-[1-isoquinolinyl(phenyl)methyl]benzoic acid
CAS Registry Number 93497-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17NO2
InChI InChI=1S/C23H17NO2/c25-23(26)20-13-7-6-12-19(20)21(17-9-2-1-3-10-17)22-18-11-5-4-8-16(18)14-15-24-22/h1-15,21H,(H,25,26)
InChIKey PGOPFOUJHSYHBU-UHFFFAOYSA-N
Molecular Weight 339.394 g/mol
SMILES OC(c1c(C(c2c3c(cccc3)ccn2)c2ccccc2)cccc1)=O
SPLASH splash10-00dl-0039000000-96cec25183e70367d750
Source of Spectrum AJ-57-2191-9
Wiley ID 1334704