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1-Methylethyl 4,5-Dihydro-3-(1-methylethoxy)4-(3-methylphenyl)-5-oxo-1H-1,2,4-triazole-1-carboxylate
SpectraBase Compound ID 32eqpv2uZaO
InChI InChI=1S/C16H21N3O4/c1-10(2)22-14-17-19(16(21)23-11(3)4)15(20)18(14)13-8-6-7-12(5)9-13/h6-11H,1-5H3
InChIKey AKKFZYXKJFBQBB-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 CxdjvF7oPPQ
Name 1-Methylethyl 4,5-Dihydro-3-(1-methylethoxy)4-(3-methylphenyl)-5-oxo-1H-1,2,4-triazole-1-carboxylate
Alternate Name(s) isopropyl 3-isopropoxy-5-oxo-4-(m-tolyl)-4,5-dihydro-1H-1,2,4-triazole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3O4
InChI InChI=1S/C16H21N3O4/c1-10(2)22-14-17-19(16(21)23-11(3)4)15(20)18(14)13-8-6-7-12(5)9-13/h6-11H,1-5H3
InChIKey AKKFZYXKJFBQBB-UHFFFAOYSA-N
Molecular Weight 319.361 g/mol
SMILES C1(=NN(C(N1c1cc(ccc1)C)=O)C(=O)OC(C)C)OC(C)C
SPLASH splash10-007o-2759000000-959a1edec9a2dc467a98
Source of Spectrum H-88-2779-2b
Wiley ID 1785610