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4-Allyl-4-(1,2,4-triazolyl)-7-(4-methoxy-phenyl)-3-heptanol diast.B1

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4-Allyl-4-(1,2,4-triazolyl)-7-(4-methoxy-phenyl)-3-heptanol diast.B1
SpectraBase Compound ID 6L7baxsNKBF
InChI InChI=1S/C22H33N3O2/c1-7-12-22(20(26)21(3,4)5,25-16-23-15-24-25)14-17(2)13-18-8-10-19(27-6)11-9-18/h7-11,15-17,20,26H,1,12-14H2,2-6H3
InChIKey LSJFMAQEDYHUSX-UHFFFAOYSA-N
Mol Weight 371.5 g/mol
Molecular Formula C22H33N3O2
Exact Mass 371.257277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wIZYaHIK0k
Name 4-Allyl-4-(1,2,4-triazolyl)-7-(4-methoxy-phenyl)-3-heptanol diast.B2
CAS Registry Number 110281-06-6#
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H33N3O2
InChI InChI=1S/C22H33N3O2/c1-7-12-22(20(26)21(3,4)5,25-16-23-15-24-25)14-17(2)13-18-8-10-19(27-6)11-9-18/h7-11,15-17,20,26H,1,12-14H2,2-6H3
InChIKey LSJFMAQEDYHUSX-UHFFFAOYSA-N
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3