John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1IcPVqjzH18 SpectraBase Spectrum ID=6JwrBhn2s3O

(accessed ).
RBIAURRRWMZKKW-BTZRARBUSA-N
SpectraBase Compound ID 1IcPVqjzH18
InChI InChI=1S/C25H35N3O2S/c1-8-27(9-2)20-17(5)25(23(29)30-7)19(18-15-13-12-14-16-18)21(31)24(20,6)22(26-25)28(10-3)11-4/h12-16,19H,8-11H2,1-7H3/t19-,24+,25-/m1/s1
InChIKey RBIAURRRWMZKKW-BTZRARBUSA-N
Mol Weight 441.6 g/mol
Molecular Formula C25H35N3O2S
Exact Mass 441.244999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6JwrBhn2s3O
Name RBIAURRRWMZKKW-BTZRARBUSA-N
Compound Number 8
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H35N3O2S
InChI InChI=1S/C25H35N3O2S/c1-8-27(9-2)20-17(5)25(23(29)30-7)19(18-15-13-12-14-16-18)21(31)24(20,6)22(26-25)28(10-3)11-4/h12-16,19H,8-11H2,1-7H3/t19-,24+,25-/m1/s1
InChIKey RBIAURRRWMZKKW-BTZRARBUSA-N
Literature Reference Author E.PELAEZ-ARANGO,F.LOPEZ-ORTIZ,J.BARLUENGA,M.FERRERO,F.PALACI OS
Literature Reference Citation MAGN.RES.CHEM.,32,646(1994)
Literature Reference DOI 10.1002/mrc.1260321103
Molecular Weight 441.632 g/mol
Solvent CDCl3
Source File Reference UWGE280
SpectraBase Batch ID 48U8nackkLC