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4-Benzyl-3-isopropoxy-5-keto-1,2,4-triazole-1-carboxylic acid isopropyl ester
SpectraBase Compound ID 2vUcsdWDVLx
InChI InChI=1S/C16H21N3O4/c1-11(2)22-14-17-19(16(21)23-12(3)4)15(20)18(14)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKey IEXGYTNDCUMLKO-UHFFFAOYSA-N
Mol Weight 319.36 g/mol
Molecular Formula C16H21N3O4
Exact Mass 319.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jLpiSwuJlG
Name 4-Benzyl-3-isopropoxy-5-keto-1,2,4-triazole-1-carboxylic acid isopropyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3O4
InChI InChI=1S/C16H21N3O4/c1-11(2)22-14-17-19(16(21)23-12(3)4)15(20)18(14)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKey IEXGYTNDCUMLKO-UHFFFAOYSA-N
Molecular Weight 319.361 g/mol
SMILES C1(N(N=C(N1Cc1ccccc1)OC(C)C)C(OC(C)C)=O)=O
SPLASH splash10-0006-9426000000-ef31a7e7af13b8eb780a
Source of Spectrum C-88-2780-2
Synonyms 5-Oxo-4-(phenylmethyl)-3-propan-2-yloxy-1,2,4-triazole-1-carboxylic acid propan-2-yl ester isopropyl 4-benzyl-3-isopropoxy-5-oxo-1,2,4-triazole-1-carboxylate Propan-2-yl 4-benzyl-5-oxo-3-propan-2-yloxy-1,2,4-triazole-1-carboxylate Propan-2-yl 5-oxidanylidene-4-(phenylmethyl)-3-propan-2-yloxy-1,2,4-triazole-1-carboxylate
Wiley ID 1590383