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3-Furan-2-yl-acrylic acid 4-[(2-benzoylamino-3-thiophen-2-yl-acryloyl)-hydrazonomethyl]-phenyl ester
SpectraBase Compound ID IfhzWCiGF7J
InChI InChI=1S/C28H21N3O5S/c32-26(15-14-22-8-4-16-35-22)36-23-12-10-20(11-13-23)19-29-31-28(34)25(18-24-9-5-17-37-24)30-27(33)21-6-2-1-3-7-21/h1-19H,(H,30,33)(H,31,34)/b15-14+,25-18+,29-19+
InChIKey LRYJMHKNAKUVLE-NJDAPNEGSA-N
Mol Weight 511.55 g/mol
Molecular Formula C28H21N3O5S
Exact Mass 511.120192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gs1qfCvSrEj
Name 3-Furan-2-yl-acrylic acid 4-[(2-benzoylamino-3-thiophen-2-yl-acryloyl)-hydrazonomethyl]-phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.120191957 u
Formula C28H21N3O5S
InChI InChI=1S/C28H21N3O5S/c32-26(15-14-22-8-4-16-35-22)36-23-12-10-20(11-13-23)19-29-31-28(34)25(18-24-9-5-17-37-24)30-27(33)21-6-2-1-3-7-21/h1-19H,(H,30,33)(H,31,34)/b15-14+,25-18+,29-19+
InChIKey LRYJMHKNAKUVLE-NJDAPNEGSA-N
Molecular Weight 511.552 g/mol
SMILES C=1(\C=C/(C(N\N=C\C=2C=CC(OC(\C=C\C=3OC=CC3)=O)=CC2)=O)NC(=O)C2=CC=CC=C2)SC=CC1