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7-(4-hydroxy-3-methoxy-5-nitro-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

7-(4-hydroxy-3-methoxy-5-nitro-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID 5WXPTrXVTKd
InChI InChI=1S/C16H17N5O6/c1-4-27-15(23)12-8(2)19-16-17-7-18-20(16)13(12)9-5-10(21(24)25)14(22)11(6-9)26-3/h5-7,13,22H,4H2,1-3H3,(H,17,18,19)
InChIKey UYRCRPXKGACVJM-UHFFFAOYSA-N
Mol Weight 375.34 g/mol
Molecular Formula C16H17N5O6
Exact Mass 375.117883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DumfPA7Vr6c
Name 7-(4-hydroxy-3-methoxy-5-nitro-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N5O6
InChI InChI=1S/C16H17N5O6/c1-4-27-15(23)12-8(2)19-16-17-7-18-20(16)13(12)9-5-10(21(24)25)14(22)11(6-9)26-3/h5-7,13,22H,4H2,1-3H3,(H,17,18,19)
InChIKey UYRCRPXKGACVJM-UHFFFAOYSA-N
Molecular Weight 375.341 g/mol
SMILES Oc1c(cc(C2C(=C(Nc3[n]2ncn3)C)C(=O)OCC)cc1OC)N(=O)=O
SPLASH splash10-056r-7942000000-ac1b28ba7ff18eb866bd
Synonyms Ethyl 7-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 7-(4-hydroxy-3-methoxy-5-nitro-phenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate 7-(4-hydroxy-3-methoxy-5-nitrophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
Wiley ID 1510945