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Diethyl 5-isopropyloxy-3-phenyl-3-trifluoromethyl-3H-1,2,4-triazole-1,2-dicarboxylate
SpectraBase Compound ID GLSmumbfISw
InChI InChI=1S/C18H22F3N3O5/c1-5-27-15(25)23-14(29-12(3)4)22-17(18(19,20)21,13-10-8-7-9-11-13)24(23)16(26)28-6-2/h7-12H,5-6H2,1-4H3
InChIKey HIVYIOYYGQKFKQ-UHFFFAOYSA-N
Mol Weight 417.39 g/mol
Molecular Formula C18H22F3N3O5
Exact Mass 417.151155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uobNl7l50l
Name Diethyl 5-isopropyloxy-3-phenyl-3-trifluoromethyl-3H-1,2,4-triazole-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22F3N3O5
InChI InChI=1S/C18H22F3N3O5/c1-5-27-15(25)23-14(29-12(3)4)22-17(18(19,20)21,13-10-8-7-9-11-13)24(23)16(26)28-6-2/h7-12H,5-6H2,1-4H3
InChIKey HIVYIOYYGQKFKQ-UHFFFAOYSA-N
Molecular Weight 417.385 g/mol
SMILES C1(N(N(C(=O)OCC)C(=N1)OC(C)C)C(=O)OCC)(C(F)(F)F)c1ccccc1
SPLASH splash10-0w5c-0892000000-5e9ecc60c48aeab6aa43
Source of Spectrum H1-47-787-9
Synonyms Diethyl 5-isopropoxy-3-phenyl-3-(trifluoromethyl)-1H-1,2,4-triazole-1,2(3H)-dicarboxylate
Wiley ID 816206