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Diphenyl {2-[ (Cyclohexylamino)carbonyl]-1,2-dihydroisoquinolin-1-yl}phosphonate
SpectraBase Compound ID J7Ssnjl62CK
InChI InChI=1S/C28H29N2O4P/c31-28(29-23-13-4-1-5-14-23)30-21-20-22-12-10-11-19-26(22)27(30)35(32,33-24-15-6-2-7-16-24)34-25-17-8-3-9-18-25/h2-3,6-12,15-21,23,27H,1,4-5,13-14H2,(H,29,31)
InChIKey AOMNRHXYNNMIDE-UHFFFAOYSA-N
Mol Weight 488.52 g/mol
Molecular Formula C28H29N2O4P
Exact Mass 488.186494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKpdiZw3QYj
Name Diphenyl {2-[ (Cyclohexylamino)carbonyl]-1,2-dihydroisoquinolin-1-yl}phosphonate
Alternate Name(s) diphenyl (2-(cyclohexylcarbamoyl)-1,2-dihydroisoquinolin-1-yl)phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29N2O4P
InChI InChI=1S/C28H29N2O4P/c31-28(29-23-13-4-1-5-14-23)30-21-20-22-12-10-11-19-26(22)27(30)35(32,33-24-15-6-2-7-16-24)34-25-17-8-3-9-18-25/h2-3,6-12,15-21,23,27H,1,4-5,13-14H2,(H,29,31)
InChIKey AOMNRHXYNNMIDE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200900247
Molecular Weight 488.524 g/mol
SMILES N(C1CCCCC1)C(=O)N1C(c2ccccc2C=C1)P(Oc1ccccc1)(Oc1ccccc1)=O
SPLASH splash10-004i-9500000000-32da28db86f9b3b3bd17
Source of Spectrum H-93-657-4c
Wiley ID 1783975