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5-Chhlorodifluoromethyl-1-[(4-nitrophenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 6kJwX32AN55
InChI InChI=1S/C13H11ClF2N4O4/c1-2-24-12(21)10-11(13(14,15)16)19(18-17-10)7-8-3-5-9(6-4-8)20(22)23/h3-6H,2,7H2,1H3
InChIKey RNDNXHXRYBYSIY-UHFFFAOYSA-N
Mol Weight 360.7 g/mol
Molecular Formula C13H11ClF2N4O4
Exact Mass 360.043689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1K3R0tCXg0
Name 5-Chhlorodifluoromethyl-1-[(4-nitrophenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClF2N4O4
InChI InChI=1S/C13H11ClF2N4O4/c1-2-24-12(21)10-11(13(14,15)16)19(18-17-10)7-8-3-5-9(6-4-8)20(22)23/h3-6H,2,7H2,1H3
InChIKey RNDNXHXRYBYSIY-UHFFFAOYSA-N
Molecular Weight 360.705 g/mol
SMILES c1(c(nn[n]1Cc1ccc(N(=O)=O)cc1)C(=O)OCC)C(F)(F)Cl
SPLASH splash10-000i-3492000000-e29069ed193fac20f574
Source of Spectrum F-59-4401-5ac
Wiley ID 1678216