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2,2-Dimethyl-4-(1,2,4-triazolyl)-8-(3-chloro-phenoxy)-trans-6-octen-3-one

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2,2-Dimethyl-4-(1,2,4-triazolyl)-8-(3-chloro-phenoxy)-trans-6-octen-3-one
SpectraBase Compound ID LOj1dRkctN1
InChI InChI=1S/C18H22ClN3O2/c1-18(2,3)17(23)16(22-13-20-12-21-22)9-4-5-10-24-15-8-6-7-14(19)11-15/h4-8,11-13,16H,9-10H2,1-3H3/b5-4+
InChIKey DDEUVZRLLXHSJC-SNAWJCMRSA-N
Mol Weight 347.85 g/mol
Molecular Formula C18H22ClN3O2
Exact Mass 347.140055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID pDwWw3quVe
Name 2,2-Dimethyl-4-(1,2,4-triazolyl)-8-(3-chloro-phenoxy)-trans-6-octen-3-one
CAS Registry Number 106854-18-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H22ClN3O2
InChI InChI=1S/C18H22ClN3O2/c1-18(2,3)17(23)16(22-13-20-12-21-22)9-4-5-10-24-15-8-6-7-14(19)11-15/h4-8,11-13,16H,9-10H2,1-3H3/b5-4+
InChIKey DDEUVZRLLXHSJC-SNAWJCMRSA-N
Instrument Name Bruker WM-360
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3