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

*Links on SpectraBase are not permalinks.

6-(2-Ethoxycarbonylvinyl)-5-(N'-isopropyl-N''-phenylguanidino)-3,4-diphenylthieno[2,3-C]pyridazine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6-(2-Ethoxycarbonylvinyl)-5-(N'-isopropyl-N''-phenylguanidino)-3,4-diphenylthieno[2,3-C]pyridazine
SpectraBase Compound ID 3w06LQG2Qsw
InChI InChI=1S/C33H31N5O2S/c1-4-40-27(39)21-20-26-31(36-33(34-22(2)3)35-25-18-12-7-13-19-25)29-28(23-14-8-5-9-15-23)30(37-38-32(29)41-26)24-16-10-6-11-17-24/h5-22H,4H2,1-3H3,(H2,34,35,36)/b21-20+
InChIKey PXDJVDJHNOMFEO-QZQOTICOSA-N
Mol Weight 561.7 g/mol
Molecular Formula C33H31N5O2S
Exact Mass 561.219846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID DhxluxfdTGw
Name 6-(2-Ethoxycarbonylvinyl)-5-(N'-isopropyl-N''-phenylguanidino)-3,4-diphenylthieno[2,3-C]pyridazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 561.219846430 u
Formula C33H31N5O2S
InChI InChI=1S/C33H31N5O2S/c1-4-40-27(39)21-20-26-31(36-33(34-22(2)3)35-25-18-12-7-13-19-25)29-28(23-14-8-5-9-15-23)30(37-38-32(29)41-26)24-16-10-6-11-17-24/h5-22H,4H2,1-3H3,(H2,34,35,36)/b21-20+
InChIKey PXDJVDJHNOMFEO-QZQOTICOSA-N
Molecular Weight 561.704 g/mol
SMILES C1=2C(=C(\C=C\C(=O)OCC)SC2N=NC(=C1C1=CC=CC=C1)C=1C=CC=CC1)N\C(=N/C1=CC=CC=C1)NC(C)C