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8-triphenylphosphoroimino-5-methyl-1-p-tolylamino-isoquinoline-3-carboxylic acid ethyl ester
SpectraBase Compound ID 239hvBhTgYm
InChI InChI=1S/C38H34N3O2P/c1-4-43-38(42)35-26-33-28(3)22-25-34(36(33)37(40-35)39-29-23-20-27(2)21-24-29)41-44(30-14-8-5-9-15-30,31-16-10-6-11-17-31)32-18-12-7-13-19-32/h5-26H,4H2,1-3H3,(H,39,40)
InChIKey YXQTXSNCGJPYSE-UHFFFAOYSA-N
Mol Weight 595.7 g/mol
Molecular Formula C38H34N3O2P
Exact Mass 595.238864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Kfu651HFuf
Name 8-triphenylphosphoroimino-5-methyl-1-p-tolylamino-isoquinoline-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H34N3O2P
InChI InChI=1S/C38H34N3O2P/c1-4-43-38(42)35-26-33-28(3)22-25-34(36(33)37(40-35)39-29-23-20-27(2)21-24-29)41-44(30-14-8-5-9-15-30,31-16-10-6-11-17-31)32-18-12-7-13-19-32/h5-26H,4H2,1-3H3,(H,39,40)
InChIKey YXQTXSNCGJPYSE-UHFFFAOYSA-N
Molecular Weight 595.683 g/mol
SMILES N(c1c2c(cc(C(=O)OCC)n1)c(C)ccc2N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C
SPLASH splash10-001i-0900020000-37411cd9733e119575dd
Source of Spectrum J-57-6711-22
Wiley ID 1409771