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2,2-Dimethyl-4-(1,2,4-triazolyl)-6-phenoxy-3-hexanone

View entire compound with spectra: 4 NMR, 1 FTIR, and 4 MS (GC)

2,2-Dimethyl-4-(1,2,4-triazolyl)-6-phenoxy-3-hexanone
SpectraBase Compound ID 3DXYUubOM1Y
InChI InChI=1S/C16H21N3O2/c1-16(2,3)15(20)14(19-12-17-11-18-19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3
InChIKey WSPSSHHJWIEHCA-UHFFFAOYSA-N
Mol Weight 287.36 g/mol
Molecular Formula C16H21N3O2
Exact Mass 287.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GBfIqaXgXO9
Name 2,2-Dimethyl-4-(1,2,4-triazolyl)-6-phenoxy-3-hexanone
CAS Registry Number 80553-75-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H21N3O2
InChI InChI=1S/C16H21N3O2/c1-16(2,3)15(20)14(19-12-17-11-18-19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3
InChIKey WSPSSHHJWIEHCA-UHFFFAOYSA-N
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3