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Tetraethyl 4-thioxo-1-p-tolyl-3,4-dihydroisoquinoline-3,3-diyldiphosphonate

View entire compound with spectra: 2 MS (GC)

Tetraethyl 4-thioxo-1-p-tolyl-3,4-dihydroisoquinoline-3,3-diyldiphosphonate
SpectraBase Compound ID 3CFDQJm82yu
InChI InChI=1S/C24H31NO6P2S/c1-6-28-32(26,29-7-2)24(33(27,30-8-3)31-9-4)23(34)21-13-11-10-12-20(21)22(25-24)19-16-14-18(5)15-17-19/h10-17H,6-9H2,1-5H3
InChIKey AGIGTNXLGBXJOS-UHFFFAOYSA-N
Mol Weight 523.52 g/mol
Molecular Formula C24H31NO6P2S
Exact Mass 523.134733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RBXGBAtOq
Name Tetraethyl 4-thioxo-1-p-tolyl-3,4-dihydroisoquinoline-3,3-diyldiphosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO6P2S
InChI InChI=1S/C24H31NO6P2S/c1-6-28-32(26,29-7-2)24(33(27,30-8-3)31-9-4)23(34)21-13-11-10-12-20(21)22(25-24)19-16-14-18(5)15-17-19/h10-17H,6-9H2,1-5H3
InChIKey AGIGTNXLGBXJOS-UHFFFAOYSA-N
Molecular Weight 523.521 g/mol
SMILES C1(N=C(c2ccc(cc2)C)c2c(C1=S)cccc2)(P(=O)(OCC)OCC)P(=O)(OCC)OCC
SPLASH splash10-0fal-5960230000-059a7ea5f7dc57e777d9
Source of Spectrum EMC-51-246-21a
Synonyms 3,3-Bis(diethoxyphosphoryl)-1-(4-methylphenyl)-4-isoquinolinethione 3,3-Bis(diethoxyphosphoryl)-1-(4-methylphenyl)isoquinoline-4-thione Tetraethyl (4-thioxo-1-(p-tolyl)-3,4-dihydroisoquinoline-3,3-diyl)bis(phosphonate)
Wiley ID 1735259