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

*Links on SpectraBase are not permalinks.
Ethyl (2-[7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene)ethanoate
SpectraBase Compound ID 9sGtPREdMni
InChI InChI=1S/C27H25N3O3S/c1-2-33-23(31)17-22-26(32)28-27(34-22)30-25(19-12-7-4-8-13-19)21-15-9-14-20(24(21)29-30)16-18-10-5-3-6-11-18/h3-8,10-13,16-17,21,25H,2,9,14-15H2,1H3/b20-16+,22-17+
InChIKey XDNGEPOPBLSROL-DWBJUFKYSA-N
Mol Weight 471.58 g/mol
Molecular Formula C27H25N3O3S
Exact Mass 471.161663 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 Ik8kJp5X0pM
Name Ethyl (2-[7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene)ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N3O3S
InChI InChI=1S/C27H25N3O3S/c1-2-33-23(31)17-22-26(32)28-27(34-22)30-25(19-12-7-4-8-13-19)21-15-9-14-20(24(21)29-30)16-18-10-5-3-6-11-18/h3-8,10-13,16-17,21,25H,2,9,14-15H2,1H3/b20-16+,22-17+
InChIKey XDNGEPOPBLSROL-DWBJUFKYSA-N
Molecular Weight 471.575 g/mol
SMILES C(OCC)(=O)\C=C/1SC(N2C(C3CCC\C(=C/c4ccccc4)C3=N2)c2ccccc2)=NC1=O
SPLASH splash10-001i-2910000000-aa1d1731a8b8f4026c05
Synonyms Ethyl (2E)-(2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene)ethanoate [2-(7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-4-oxo-4H-thiazol-5-ylidene]-acetic acid ethyl ester
Wiley ID 1463814