For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Diethyl 5,5'-((2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonyl)bis(hydrazin-2-yl-1-ylidene))bis(4-(4-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate)
SpectraBase Compound ID DNQqBGLLA1K
InChI InChI=1S/C37H33Cl2N9O6S2/c1-5-53-34(51)32-45-47(25-16-12-23(38)13-17-25)36(55-32)43-41-30(49)27-20(3)40-21(4)28(29(27)22-10-8-7-9-11-22)31(50)42-44-37-48(26-18-14-24(39)15-19-26)46-33(56-37)35(52)54-6-2/h7-19,29,40H,5-6H2,1-4H3,(H,41,49)(H,42,50)
InChIKey KZGVJCGBGAFOMP-UHFFFAOYSA-N
Mol Weight 834.8 g/mol
Molecular Formula C37H33Cl2N9O6S2
Exact Mass 833.137228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1IrRHVZPZg
Name Diethyl 5,5'-((2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbonyl)bis(hydrazin-2-yl-1-ylidene))bis(4-(4-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H33Cl2N9O6S2
InChI InChI=1S/C37H33Cl2N9O6S2/c1-5-53-34(51)32-45-47(25-16-12-23(38)13-17-25)36(55-32)43-41-30(49)27-20(3)40-21(4)28(29(27)22-10-8-7-9-11-22)31(50)42-44-37-48(26-18-14-24(39)15-19-26)46-33(56-37)35(52)54-6-2/h7-19,29,40H,5-6H2,1-4H3,(H,41,49)(H,42,50)
InChIKey KZGVJCGBGAFOMP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3300
Molecular Weight 834.754 g/mol
SMILES N1C(=C(C(C(C(=O)NN=C2N(N=C(S2)C(=O)OCC)c2ccc(cc2)Cl)=C1C)c1ccccc1)C(NN=C1SC(=NN1c1ccc(cc1)Cl)C(OCC)=O)=O)C
SPLASH splash10-0ue9-8910003130-b2c2abd3676243ca5228
Source of Spectrum Y-55-2365-6k
Wiley ID 1878879