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1,1-Hydrazinedicarboxylic acid, 2-[[1,5-diphenyl-3-(phenylthioxomethyl)-1H-pyrazol-4-yl]phenylmethylene]-, dimethyl ester

View entire compound with spectra: 1 MS (GC)

1,1-Hydrazinedicarboxylic acid, 2-[[1,5-diphenyl-3-(phenylthioxomethyl)-1H-pyrazol-4-yl]phenylmethylene]-, dimethyl ester
SpectraBase Compound ID 52d6GNiVgrk
InChI InChI=1S/C33H26N4O4S/c1-40-32(38)37(33(39)41-2)34-28(23-15-7-3-8-16-23)27-29(31(42)25-19-11-5-12-20-25)35-36(26-21-13-6-14-22-26)30(27)24-17-9-4-10-18-24/h3-22H,1-2H3/b34-28+
InChIKey DIWCXZZXGPXNPC-CDSHQWRTSA-N
Mol Weight 574.7 g/mol
Molecular Formula C33H26N4O4S
Exact Mass 574.167477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXrv7qs23Rt
Name 1,1-Hydrazinedicarboxylic acid, 2-[[1,5-diphenyl-3-(phenylthioxomethyl)-1H-pyrazol-4-yl]phenylmethylene]-, dimethyl ester
Alternate Name(s) Dimethyl (2E)-2-[(3-benzothioyl-1,5-diphenyl-1H-pyrazol-4-yl)(phenyl)methylene]-1,1-hydrazinedicarboxylate
CAS Registry Number 110315-38-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H26N4O4S
InChI InChI=1S/C33H26N4O4S/c1-40-32(38)37(33(39)41-2)34-28(23-15-7-3-8-16-23)27-29(31(42)25-19-11-5-12-20-25)35-36(26-21-13-6-14-22-26)30(27)24-17-9-4-10-18-24/h3-22H,1-2H3/b34-28+
InChIKey DIWCXZZXGPXNPC-CDSHQWRTSA-N
Molecular Weight 574.655 g/mol
SMILES c1(c(n[n](c1-c1ccccc1)-c1ccccc1)C(=S)c1ccccc1)\C(=N\N(C(=O)OC)C(=O)OC)c1ccccc1
SPLASH splash10-002f-5200900000-9f1a4697f8222feb33f4
Source of Spectrum K-121-103-26
Wiley ID 1408051