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4H-1,2,4-Triazole-3-acetic acid, 5-(4-pyridinyl)-, ethyl ester
SpectraBase Compound ID Eha1P3E1Ck1
InChI InChI=1S/C11H12N4O2/c1-2-17-10(16)7-9-13-11(15-14-9)8-3-5-12-6-4-8/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKey RTCNTPZLDKLUQL-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C11H12N4O2
Exact Mass 232.096026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pO3T7ISBM5
Name 4H-1,2,4-Triazole-3-acetic acid, 5-(4-pyridinyl)-, ethyl ester
Alternate Name(s) 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetic acid ethyl ester Ethyl 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetate Ethyl 2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]acetate Ethyl 2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethanoate
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Formula C11H12N4O2
InChI InChI=1S/C11H12N4O2/c1-2-17-10(16)7-9-13-11(15-14-9)8-3-5-12-6-4-8/h3-6H,2,7H2,1H3,(H,13,14,15)
InChIKey RTCNTPZLDKLUQL-UHFFFAOYSA-N
Molecular Weight 232.243 g/mol
SMILES [nH]1c(nnc1-c1ccncc1)CC(=O)OCC
SPLASH splash10-01q9-3950000000-1e6e1a680c56e12a4aa7
Source of Spectrum IY-1-4413-1
Wiley ID 1652114