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3,3-Dimethyl-4-{[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]carbamoyl}butanoic acid
SpectraBase Compound ID FZoT7Dz7Jc1
InChI InChI=1S/C16H20N4O3/c1-16(2,9-14(22)23)8-13(21)18-12-6-4-5-11(7-12)15-19-17-10-20(15)3/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,22,23)
InChIKey BUAFHBTXXAKGBN-UHFFFAOYSA-N
Mol Weight 316.36 g/mol
Molecular Formula C16H20N4O3
Exact Mass 316.153541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0hemEcMX40
Name 3,3-Dimethyl-4-{[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]carbamoyl}butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N4O3
InChI InChI=1S/C16H20N4O3/c1-16(2,9-14(22)23)8-13(21)18-12-6-4-5-11(7-12)15-19-17-10-20(15)3/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,22,23)
InChIKey BUAFHBTXXAKGBN-UHFFFAOYSA-N
Molecular Weight 316.361 g/mol
SMILES N(C(CC(CC(=O)O)(C)C)=O)c1cc(-c2[n](cnn2)C)ccc1
SPLASH splash10-00di-5920000000-222d0f30c2f0ba30a4fc
Source of Spectrum IY-2-4989-8
Synonyms Pentanoic acid, 3,3-dimethyl-5-[[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]amino]-5-oxo- 3,3-Dimethyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-5-oxopentanoic acid 3,3-Dimethyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-5-oxo-pentanoic acid 3,3-Dimethyl-5-[[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]amino]-5-oxidanylidene-pentanoic acid
Wiley ID 1657881