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(E)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-yl isobutyl carbonate

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(E)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-yl isobutyl carbonate
SpectraBase Compound ID LVjhMcQcI16
InChI InChI=1S/C20H26ClN3O3/c1-14(2)11-26-19(25)27-18(20(3,4)5)17(24-13-22-12-23-24)10-15-6-8-16(21)9-7-15/h6-10,12-14,18H,11H2,1-5H3/b17-10+
InChIKey BRJKYMGJNQHTLM-LICLKQGHSA-N
Mol Weight 391.9 g/mol
Molecular Formula C20H26ClN3O3
Exact Mass 391.166269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EI3vEBELilh
Name (E)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-yl isobutyl carbonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.166269406 u
Formula C20H26ClN3O3
InChI InChI=1S/C20H26ClN3O3/c1-14(2)11-26-19(25)27-18(20(3,4)5)17(24-13-22-12-23-24)10-15-6-8-16(21)9-7-15/h6-10,12-14,18H,11H2,1-5H3/b17-10+
InChIKey BRJKYMGJNQHTLM-LICLKQGHSA-N
Molecular Weight 391.899 g/mol
SMILES C(=O)(OCC(C)C)OC(C(C)(C)C)\C(=C/C1=CC=C(C=C1)Cl)N1C=NC=N1