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Vitamin D3 7,8-epoxide 4-phenyl-1,2,3-triazolin-3,5-dione A-adduct

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Vitamin D3 7,8-epoxide 4-phenyl-1,2,3-triazolin-3,5-dione A-adduct
SpectraBase Compound ID L5P2xynvvit
InChI InChI=1S/C35H49N3O4/c1-22(2)10-8-11-23(3)28-16-17-29-34(28,4)18-9-19-35(29)31(42-35)30-27-20-26(39)15-14-24(27)21-36-32(40)37(33(41)38(30)36)25-12-6-5-7-13-25/h5-7,12-13,22-23,26,28-31,39H,8-11,14-21H2,1-4H3
InChIKey INQSQFWOKCIEAW-UHFFFAOYSA-N
Mol Weight 575.8 g/mol
Molecular Formula C35H49N3O4
Exact Mass 575.372307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSsztgRTJdc
Name Vitamin D3 7,8-epoxide 4-phenyl-1,2,4-triazolin-3,5-dione B-adduct
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C35H49N3O4
InChI InChI=1S/C35H49N3O4/c1-22(2)10-8-11-23(3)28-16-17-29-34(28,4)18-9-19-35(29)31(42-35)30-27-20-26(39)15-14-24(27)21-36-32(40)37(33(41)38(30)36)25-12-6-5-7-13-25/h5-7,12-13,22-23,26,28-31,39H,8-11,14-21H2,1-4H3
InChIKey INQSQFWOKCIEAW-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference W. Reischl, E. Altmann, E. Zbiral, Monatsh. Chem. 113, 427 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3