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NPQBSQORQFWLCL-KEKPXRHTSA-N

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NPQBSQORQFWLCL-KEKPXRHTSA-N
SpectraBase Compound ID 1L0HkdTsFZw
InChI InChI=1S/C29H31NO2S/c1-23-17-18-29(33(31,32)26-15-9-4-10-16-26)22-30(21-25-13-7-3-8-14-25)28(27(29)19-23)20-24-11-5-2-6-12-24/h2-16,19,27-28H,17-18,20-22H2,1H3/t27?,28-,29-/m0/s1
InChIKey NPQBSQORQFWLCL-KEKPXRHTSA-N
Mol Weight 457.63 g/mol
Molecular Formula C29H31NO2S
Exact Mass 457.20755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVsPzuStZj
Name NPQBSQORQFWLCL-KEKPXRHTSA-N
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H31NO2S
InChI InChI=1S/C29H31NO2S/c1-23-17-18-29(33(31,32)26-15-9-4-10-16-26)22-30(21-25-13-7-3-8-14-25)28(27(29)19-23)20-24-11-5-2-6-12-24/h2-16,19,27-28H,17-18,20-22H2,1H3/t27?,28-,29-/m0/s1
InChIKey NPQBSQORQFWLCL-KEKPXRHTSA-N
Literature Reference Author H.TAKEUCHI,T.FUJIMOTO,K.HOSHINO,J.MOTOYOSHIYA,A.KAKEHI,I.YAM AMOTO
Literature Reference Citation J.ORG.CHEM.,63,7172(1998)
Literature Reference DOI 10.1021/jo980181b
Molecular Weight 457.631 g/mol
Sample ID 26003
Solvent CDCl3