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4-Allyl-2,2,6-trimethyl-7-(2,4-dichloro-phenyl)-4-(1,2,4-triazolyl)-3-heptanone diast.A

View entire compound with spectra: 2 NMR, and 1 FTIR

4-Allyl-2,2,6-trimethyl-7-(2,4-dichloro-phenyl)-4-(1,2,4-triazolyl)-3-heptanone diast.A
SpectraBase Compound ID FTThuu2Vnoc
InChI InChI=1S/C21H27Cl2N3O/c1-6-9-21(19(27)20(3,4)5,26-14-24-13-25-26)12-15(2)10-16-7-8-17(22)11-18(16)23/h6-8,11,13-15H,1,9-10,12H2,2-5H3
InChIKey WOIPKZGXRBZXOI-UHFFFAOYSA-N
Mol Weight 408.37 g/mol
Molecular Formula C21H27Cl2N3O
Exact Mass 407.153118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4wRnBUF2BTY
Name 4-Allyl-2,2,6-trimethyl-7-(2,4-dichloro-phenyl)-4-(1,2,4-triazolyl)-3-heptanone diast.B
CAS Registry Number 110281-00-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H27Cl2N3O
InChI InChI=1S/C21H27Cl2N3O/c1-6-9-21(19(27)20(3,4)5,26-14-24-13-25-26)12-15(2)10-16-7-8-17(22)11-18(16)23/h6-8,11,13-15H,1,9-10,12H2,2-5H3
InChIKey WOIPKZGXRBZXOI-UHFFFAOYSA-N
Instrument Name Bruker WM-360
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3