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2H-1,2,3,4-Tetrazole-2-acetamide, N-(1,3-benzodioxol-5-yl)-5-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID M6FPgjnPXa
InChI InChI=1S/C17H12F3N5O3/c18-17(19,20)11-3-1-2-10(6-11)16-22-24-25(23-16)8-15(26)21-12-4-5-13-14(7-12)28-9-27-13/h1-7H,8-9H2,(H,21,26)
InChIKey WGYZABRDULXSDH-UHFFFAOYSA-N
Mol Weight 391.31 g/mol
Molecular Formula C17H12F3N5O3
Exact Mass 391.089224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpmwCLHMRqu
Name 2H-1,2,3,4-Tetrazole-2-acetamide, N-(1,3-benzodioxol-5-yl)-5-[3-(trifluoromethyl)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12F3N5O3
InChI InChI=1S/C17H12F3N5O3/c18-17(19,20)11-3-1-2-10(6-11)16-22-24-25(23-16)8-15(26)21-12-4-5-13-14(7-12)28-9-27-13/h1-7H,8-9H2,(H,21,26)
InChIKey WGYZABRDULXSDH-UHFFFAOYSA-N
Molecular Weight 391.310 g/mol
SMILES N(C(=O)C[n]1nc(nn1)-c1cccc(C(F)(F)F)c1)c1cc2c(cc1)OCO2
SPLASH splash10-022a-3901000000-f8f0442b640f3b766ca2
Source of Spectrum IY-1-4578-3
Synonyms N-(1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]-2-tetrazolyl]acetamide N-(1,3-benzodioxol-5-yl)-2-[5-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrazol-2-yl]ethanamide
Wiley ID 1653766