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[1-(3,4-Difluorobenzyl)-1H-1,2,3-triazol-4-yl]methyl isobutylcarbamate

View entire compound with spectra: 1 NMR

[1-(3,4-Difluorobenzyl)-1H-1,2,3-triazol-4-yl]methyl isobutylcarbamate
SpectraBase Compound ID IHXfyiFlG9s
InChI InChI=1S/C15H18F2N4O2/c1-10(2)6-18-15(22)23-9-12-8-21(20-19-12)7-11-3-4-13(16)14(17)5-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,22)
InChIKey IMTZMYIVTBBDFW-UHFFFAOYSA-N
Mol Weight 324.33 g/mol
Molecular Formula C15H18F2N4O2
Exact Mass 324.139782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HodtscfhQ8k
Name [1-(3,4-Difluorobenzyl)-1H-1,2,3-triazol-4-yl]methyl isobutylcarbamate
Comments Computed using HOSE algorithm
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Exact Mass 324.139782160 u
Formula C15H18F2N4O2
InChI InChI=1S/C15H18F2N4O2/c1-10(2)6-18-15(22)23-9-12-8-21(20-19-12)7-11-3-4-13(16)14(17)5-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,22)
InChIKey IMTZMYIVTBBDFW-UHFFFAOYSA-N
Molecular Weight 324.332 g/mol
SMILES C(NCC(C)C)(=O)OCC=1N=NN(C1)CC1=CC(=C(C=C1)F)F