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2-Propenoic acid, 3-phenyl-, (4-amino-4H-1,2,4-triazol-3,5-diyl)di-2,1-phenylene ester, (E,E)-
SpectraBase Compound ID KhTGfCTgODV
InChI InChI=1S/C32H24N4O4/c33-36-31(25-15-7-9-17-27(25)39-29(37)21-19-23-11-3-1-4-12-23)34-35-32(36)26-16-8-10-18-28(26)40-30(38)22-20-24-13-5-2-6-14-24/h1-22H,33H2/b21-19+,22-20+
InChIKey NTMJQGZVCXKZLQ-FLFKKZLDSA-N
Mol Weight 528.6 g/mol
Molecular Formula C32H24N4O4
Exact Mass 528.179755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0oOrN4S1AU
Name 2-Propenoic acid, 3-phenyl-, (4-amino-4H-1,2,4-triazol-3,5-diyl)di-2,1-phenylene ester, (E,E)-
CAS Registry Number 119933-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H24N4O4
InChI InChI=1S/C32H24N4O4/c33-36-31(25-15-7-9-17-27(25)39-29(37)21-19-23-11-3-1-4-12-23)34-35-32(36)26-16-8-10-18-28(26)40-30(38)22-20-24-13-5-2-6-14-24/h1-22H,33H2/b21-19+,22-20+
InChIKey NTMJQGZVCXKZLQ-FLFKKZLDSA-N
Molecular Weight 528.568 g/mol
SMILES N[n]1c(-c2c(OC(\C=C\c3ccccc3)=O)cccc2)nnc1-c1c(OC(\C=C\c2ccccc2)=O)cccc1
SPLASH splash10-0f89-2910000000-75054cd3ae8ac6b4d25e
Source of Spectrum AH-119-1044-4
Synonyms 2-[4-amino-5-(2-{[(2E)-3-phenyl-2-propenoyl]oxy}phenyl)-4H-1,2,4-triazol-3-yl]phenyl (2E)-3-phenyl-2-propenoate 3,5-bis((1-oxo-2-propenyloxy)phenyl)-4-amino-1,2,4-triazole
Wiley ID 1403106