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Diphenyl {2-{[(3-Chloro-4-methylphenyl)amino]carbonyl}-1,2-dihydroisoquinolin-1-yl}phosphonate
SpectraBase Compound ID 7xqeU3uVb7i
InChI InChI=1S/C29H24ClN2O4P/c1-21-16-17-23(20-27(21)30)31-29(33)32-19-18-22-10-8-9-15-26(22)28(32)37(34,35-24-11-4-2-5-12-24)36-25-13-6-3-7-14-25/h2-20,28H,1H3,(H,31,33)
InChIKey BTCLBBQGFLZZIB-UHFFFAOYSA-N
Mol Weight 530.95 g/mol
Molecular Formula C29H24ClN2O4P
Exact Mass 530.116222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tTlKIAqRM
Name Diphenyl {2-{[(3-Chloro-4-methylphenyl)amino]carbonyl}-1,2-dihydroisoquinolin-1-yl}phosphonate
Alternate Name(s) diphenyl (2-((3-chloro-4-methylphenyl)carbamoyl)-1,2-dihydroisoquinolin-1-yl)phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24ClN2O4P
InChI InChI=1S/C29H24ClN2O4P/c1-21-16-17-23(20-27(21)30)31-29(33)32-19-18-22-10-8-9-15-26(22)28(32)37(34,35-24-11-4-2-5-12-24)36-25-13-6-3-7-14-25/h2-20,28H,1H3,(H,31,33)
InChIKey BTCLBBQGFLZZIB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900247
Molecular Weight 530.948 g/mol
SMILES N(c1cc(c(cc1)C)Cl)C(=O)N1C(c2ccccc2C=C1)P(Oc1ccccc1)(Oc1ccccc1)=O
SPLASH splash10-005l-7900000000-5c3d4ce23fb8efa99971
Source of Spectrum H-93-656-4b
Wiley ID 1783974