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2,2,6-Trimethyl-4-allyl-4-(1,2,4-triazolyl)-7-(4-tert-butyl-phenyl)-3-heptanone diast. A

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2,2,6-Trimethyl-4-allyl-4-(1,2,4-triazolyl)-7-(4-tert-butyl-phenyl)-3-heptanone diast. A
SpectraBase Compound ID 8fESxKdhJxD
InChI InChI=1S/C25H37N3O/c1-9-14-25(22(29)24(6,7)8,28-18-26-17-27-28)16-19(2)15-20-10-12-21(13-11-20)23(3,4)5/h9-13,17-19H,1,14-16H2,2-8H3
InChIKey KIJVGVDTDCHUGD-UHFFFAOYSA-N
Mol Weight 395.6 g/mol
Molecular Formula C25H37N3O
Exact Mass 395.293663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99wYUJLUunG
Name 2,2,6-Trimethyl-4-allyl-4-(1,2,4-triazolyl)-7-(4-tert-butyl-phenyl)-3-heptanone diast. A
CAS Registry Number 110280-88-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H37N3O
InChI InChI=1S/C25H37N3O/c1-9-14-25(22(29)24(6,7)8,28-18-26-17-27-28)16-19(2)15-20-10-12-21(13-11-20)23(3,4)5/h9-13,17-19H,1,14-16H2,2-8H3
InChIKey KIJVGVDTDCHUGD-UHFFFAOYSA-N
Instrument Name Bruker WM-360
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3