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3-thiophenecarboxylic acid, 5-phenyl-2-[[[[5-(2-propenyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]acetyl]amino]-, ethyl ester

View entire compound with spectra: 1 NMR

3-thiophenecarboxylic acid, 5-phenyl-2-[[[[5-(2-propenyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID aWVnQJUO8m
InChI InChI=1S/C27H23N5O3S2/c1-3-14-32-20-13-9-8-12-18(20)23-24(32)29-27(31-30-23)36-16-22(33)28-25-19(26(34)35-4-2)15-21(37-25)17-10-6-5-7-11-17/h3,5-13,15H,1,4,14,16H2,2H3,(H,28,33)
InChIKey AAWBVUBELCBFLN-UHFFFAOYSA-N
Mol Weight 529.63 g/mol
Molecular Formula C27H23N5O3S2
Exact Mass 529.124232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JY4gNjnZ4dz
Name 3-thiophenecarboxylic acid, 5-phenyl-2-[[[[5-(2-propenyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]acetyl]amino]-, ethyl ester
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.124231966 u
Formula C27H23N5O3S2
InChI InChI=1S/C27H23N5O3S2/c1-3-14-32-20-13-9-8-12-18(20)23-24(32)29-27(31-30-23)36-16-22(33)28-25-19(26(34)35-4-2)15-21(37-25)17-10-6-5-7-11-17/h3,5-13,15H,1,4,14,16H2,2H3,(H,28,33)
InChIKey AAWBVUBELCBFLN-UHFFFAOYSA-N
Molecular Weight 529.633 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1707
Solvent DMSO-d6
Source Vendor ID: ZI/8166805; Lab Info: L-23,Kulikova; Lab Number: L-23/0006344