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2-{2'-[bis(Ethoxyphosphonato)methyl]-1'-(2''-furyl)ethylidene]-(1,3)-benzothiazole
SpectraBase Compound ID Apf7tak83EO
InChI InChI=1S/C22H29NO7P2S/c1-5-27-31(24,28-6-2)22(32(25,29-7-3)30-8-4)18(16-17-12-11-15-26-17)21-23-19-13-9-10-14-20(19)33-21/h9-16,22H,5-8H2,1-4H3/b18-16+
InChIKey ZLAUDOXOWLBNCT-FBMGVBCBSA-N
Mol Weight 513.48 g/mol
Molecular Formula C22H29NO7P2S
Exact Mass 513.113997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 420AyEVuEDM
Name 2-{2'-[bis(Ethoxyphosphonato)methyl]-1'-(2''-furyl)ethylidene]-(1,3)-benzothiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO7P2S
InChI InChI=1S/C22H29NO7P2S/c1-5-27-31(24,28-6-2)22(32(25,29-7-3)30-8-4)18(16-17-12-11-15-26-17)21-23-19-13-9-10-14-20(19)33-21/h9-16,22H,5-8H2,1-4H3/b18-16+
InChIKey ZLAUDOXOWLBNCT-FBMGVBCBSA-N
Molecular Weight 513.482 g/mol
SMILES c1(\C(C(P(=O)(OCC)OCC)P(=O)(OCC)OCC)=C/c2occc2)nc2ccccc2s1
SPLASH splash10-0udi-1032930000-97f89b464ba29a97e927
Source of Spectrum D1-2003-786-10
Wiley ID 1548373