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[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl, acetate (isomer 1)
SpectraBase Compound ID IJ2LKbSbNJw
InChI InChI=1S/C15H15Cl2N3O4/c1-10(21)22-5-12-6-23-15(24-12,7-20-9-18-8-19-20)13-3-2-11(16)4-14(13)17/h2-4,8-9,12H,5-7H2,1H3
InChIKey GHPKYFLZKYGMLI-UHFFFAOYSA-N
Mol Weight 372.21 g/mol
Molecular Formula C15H15Cl2N3O4
Exact Mass 371.043961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID fYpphPgzET
Name [2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl, acetate (isomer 1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.043961371 u
Formula C15H15Cl2N3O4
InChI InChI=1S/C15H15Cl2N3O4/c1-10(21)22-5-12-6-23-15(24-12,7-20-9-18-8-19-20)13-3-2-11(16)4-14(13)17/h2-4,8-9,12H,5-7H2,1H3
InChIKey GHPKYFLZKYGMLI-UHFFFAOYSA-N
Molecular Weight 372.208 g/mol
SMILES C(OC(C)=O)C1OC(OC1)(CN1N=CN=C1)C1=C(C=C(C=C1)Cl)Cl