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2,2-Dimethyl-3-(4-tosyloxy)-4-(1,2,4-triazol-1-yl)-8-phenoxy-octane (diast. B)

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

2,2-Dimethyl-3-(4-tosyloxy)-4-(1,2,4-triazol-1-yl)-8-phenoxy-octane (diast. B)
SpectraBase Compound ID Lqn2ekAsnik
InChI InChI=1S/C25H33N3O4S/c1-20-13-15-22(16-14-20)33(29,30)32-24(25(2,3)4)23(28-19-26-18-27-28)12-8-9-17-31-21-10-6-5-7-11-21/h5-7,10-11,13-16,18-19,23-24H,8-9,12,17H2,1-4H3
InChIKey NVRQFKQDDJCRRK-UHFFFAOYSA-N
Mol Weight 471.6 g/mol
Molecular Formula C25H33N3O4S
Exact Mass 471.219178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D6iEz1ksqtC
Name 2,2-Dimethyl-3-(4-tosyloxy)-4-(1,2,4-triazol-1-yl)-8-phenoxy-octane diast.B
CAS Registry Number 100555-22-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H33N3O4S
InChI InChI=1S/C25H33N3O4S/c1-20-13-15-22(16-14-20)33(29,30)32-24(25(2,3)4)23(28-19-26-18-27-28)12-8-9-17-31-21-10-6-5-7-11-21/h5-7,10-11,13-16,18-19,23-24H,8-9,12,17H2,1-4H3
InChIKey NVRQFKQDDJCRRK-UHFFFAOYSA-N
Instrument Name Bruker WM-360
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6