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4-[4-(4-Ethoxycarbonylphenyl)-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)sydnon

View entire compound with spectra: 1 MS (GC)

4-[4-(4-Ethoxycarbonylphenyl)-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)sydnon
SpectraBase Compound ID 9VB76KaSwAp
InChI InChI=1S/C27H23N5O6/c1-4-37-25(33)18-7-11-19(12-8-18)30-24(28-32(27(30)35)21-9-5-17(2)6-10-21)23-26(34)38-29-31(23)20-13-15-22(36-3)16-14-20/h5-16H,4H2,1-3H3
InChIKey PIXWAXOXVHHURZ-UHFFFAOYSA-N
Mol Weight 513.51 g/mol
Molecular Formula C27H23N5O6
Exact Mass 513.164833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWl5JimIG04
Name 4-[4-(4-Ethoxycarbonylphenyl)-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)sydnon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23N5O6
InChI InChI=1S/C27H23N5O6/c1-4-37-25(33)18-7-11-19(12-8-18)30-24(28-32(27(30)35)21-9-5-17(2)6-10-21)23-26(34)38-29-31(23)20-13-15-22(36-3)16-14-20/h5-16H,4H2,1-3H3
InChIKey PIXWAXOXVHHURZ-UHFFFAOYSA-N
Molecular Weight 513.510 g/mol
SMILES C=1(N(C(=O)N(N1)c1ccc(cc1)C)c1ccc(C(=O)OCC)cc1)c1[n+](noc1[O-])-c1ccc(cc1)OC
SPLASH splash10-0a4i-6705930000-51d9feec31b5603383ba
Source of Spectrum QA-47-238-11
Wiley ID 863380