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Tetraethyl 4-thioxo-1-phenyl-3,4-dihydroisoquinoline-3,3-diyldiphosphonate
SpectraBase Compound ID 85XLwTlRG9v
InChI InChI=1S/C23H29NO6P2S/c1-5-27-31(25,28-6-2)23(32(26,29-7-3)30-8-4)22(33)20-17-13-12-16-19(20)21(24-23)18-14-10-9-11-15-18/h9-17H,5-8H2,1-4H3
InChIKey QKZBRAIVUDQFBS-UHFFFAOYSA-N
Mol Weight 509.49 g/mol
Molecular Formula C23H29NO6P2S
Exact Mass 509.119083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LX6S9zUqeXu
Name Tetraethyl 4-thioxo-1-phenyl-3,4-dihydroisoquinoline-3,3-diyldiphosphonate
Alternate Name(s) 3,3-bis(diethoxyphosphoryl)-1-phenyl-4-isoquinolinethione 3,3-bis(diethoxyphosphoryl)-1-phenylisoquinoline-4-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO6P2S
InChI InChI=1S/C23H29NO6P2S/c1-5-27-31(25,28-6-2)23(32(26,29-7-3)30-8-4)22(33)20-17-13-12-16-19(20)21(24-23)18-14-10-9-11-15-18/h9-17H,5-8H2,1-4H3
InChIKey QKZBRAIVUDQFBS-UHFFFAOYSA-N
Molecular Weight 509.494 g/mol
SMILES C1(=NC(C(c2ccccc12)=S)(P(OCC)(OCC)=O)P(OCC)(OCC)=O)c1ccccc1
SPLASH splash10-0f9l-5950110000-e1a53cdb1e1c704e247d
Source of Spectrum F2-51-247-21c
Wiley ID 1716664