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(E)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-yl propyl 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 propyl carbonate
SpectraBase Compound ID 9bJ4R1JDfdO
InChI InChI=1S/C19H24ClN3O3/c1-5-10-25-18(24)26-17(19(2,3)4)16(23-13-21-12-22-23)11-14-6-8-15(20)9-7-14/h6-9,11-13,17H,5,10H2,1-4H3/b16-11+
InChIKey DNABSAXQTYUBIW-LFIBNONCSA-N
Mol Weight 377.87 g/mol
Molecular Formula C19H24ClN3O3
Exact Mass 377.150619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAnSvFw9a7T
Name (E)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-yl propyl carbonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.150619342 u
Formula C19H24ClN3O3
InChI InChI=1S/C19H24ClN3O3/c1-5-10-25-18(24)26-17(19(2,3)4)16(23-13-21-12-22-23)11-14-6-8-15(20)9-7-14/h6-9,11-13,17H,5,10H2,1-4H3/b16-11+
InChIKey DNABSAXQTYUBIW-LFIBNONCSA-N
Molecular Weight 377.872 g/mol
SMILES C1=C(C=CC(=C1)\C=C/(N1C=NC=N1)C(C(C)(C)C)OC(OCCC)=O)Cl