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ethyl 2-[3-benzyl-4-[(E)-(4-methoxyphenyl)methyleneamino]-5-oxo-1,2,4-triazol-1-yl]acetate
SpectraBase Compound ID 31YDmXXRpMJ
InChI InChI=1S/C21H22N4O4/c1-3-29-20(26)15-24-21(27)25(19(23-24)13-16-7-5-4-6-8-16)22-14-17-9-11-18(28-2)12-10-17/h4-12,14H,3,13,15H2,1-2H3/b22-14+
InChIKey HCDXVENPRZRVHU-HYARGMPZSA-N
Mol Weight 394.43 g/mol
Molecular Formula C21H22N4O4
Exact Mass 394.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iesfCMlEXH
Name ethyl 2-[3-benzyl-4-[(E)-(4-methoxyphenyl)methyleneamino]-5-oxo-1,2,4-triazol-1-yl]acetate
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Formula C21H22N4O4
InChI InChI=1S/C21H22N4O4/c1-3-29-20(26)15-24-21(27)25(19(23-24)13-16-7-5-4-6-8-16)22-14-17-9-11-18(28-2)12-10-17/h4-12,14H,3,13,15H2,1-2H3/b22-14+
InChIKey HCDXVENPRZRVHU-HYARGMPZSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.108
Molecular Weight 394.431 g/mol
SMILES C=1(N(C(N(N1)CC(OCC)=O)=O)\N=C\c1ccc(cc1)OC)Cc1ccccc1
SPLASH splash10-0fr2-3992000000-aaa5d179e8deef2ed012
Source of Spectrum ARK-2005-84-2h
Wiley ID 1870861