2-[(5-Chloro-2,4-dimethoxyphenyl)thiocarbamoyl]phosphorohydrazidothioic acid, o,o-bis(p-tert-butylphenyl) ester

SpectraBase Compound ID	HxRWdd4bE7F
InChI	InChI=1S/C29H37ClN3O4PS2/c1-28(2,3)19-9-13-21(14-10-19)36-38(40,37-22-15-11-20(12-16-22)29(4,5)6)33-32-27(39)31-24-17-23(30)25(34-7)18-26(24)35-8/h9-18H,1-8H3,(H,33,40)(H2,31,32,39)
InChIKey	NKROYCSZMANZTE-UHFFFAOYSA-N Google Search
Mol Weight	622.2 g/mol
Molecular Formula	C29H37ClN3O4PS2
Exact Mass	621.165164 g/mol

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SpectraBase Spectrum ID	Jog0BNhPJ3N
Name	2-[(5-Chloro-2,4-dimethoxyphenyl)thiocarbamoyl]phosphorohydrazidothioic acid, o,o-bis(p-tert-butylphenyl) ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	621.165163725 u
Formula	C29H37ClN3O4PS2
InChI	InChI=1S/C29H37ClN3O4PS2/c1-28(2,3)19-9-13-21(14-10-19)36-38(40,37-22-15-11-20(12-16-22)29(4,5)6)33-32-27(39)31-24-17-23(30)25(34-7)18-26(24)35-8/h9-18H,1-8H3,(H,33,40)(H2,31,32,39)
InChIKey	NKROYCSZMANZTE-UHFFFAOYSA-N
Molecular Weight	622.179 g/mol
SMILES	N(P(OC1=CC=C(C=C1)C(C)(C)C)(=S)OC=1C=CC(=CC1)C(C)(C)C)NC(NC=1C=C(C(=CC1OC)OC)Cl)=S