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WDNXBUIRDGTJFZ-MTXMWCQXSA-N
SpectraBase Compound ID IMqbNKAj2CE
InChI InChI=1S/C25H31N3S/c26-22(20-7-3-1-4-8-20)23(21-9-5-2-6-10-21)27-24(29)28-25-14-17-11-18(15-25)13-19(12-17)16-25/h1-10,17-19,22-23H,11-16,26H2,(H2,27,28,29)/t17-,18+,19-,22-,23-,25-/m0/s1
InChIKey WDNXBUIRDGTJFZ-MTXMWCQXSA-N
Mol Weight 405.6 g/mol
Molecular Formula C25H31N3S
Exact Mass 405.223869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0P7dbJtrV1
Name WDNXBUIRDGTJFZ-MTXMWCQXSA-N
Compound Number (1R,2R)-#7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31N3S
InChI InChI=1S/C25H31N3S/c26-22(20-7-3-1-4-8-20)23(21-9-5-2-6-10-21)27-24(29)28-25-14-17-11-18(15-25)13-19(12-17)16-25/h1-10,17-19,22-23H,11-16,26H2,(H2,27,28,29)/t17-,18+,19-,22-,23-,25-/m0/s1
InChIKey WDNXBUIRDGTJFZ-MTXMWCQXSA-N
Literature Reference Author N.MIBU,K.YOKOMIZO,T.MIYATA,K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,55,1406(2007)
Literature Reference DOI 10.1248/cpb.55.1406
Molecular Weight 405.601 g/mol
Sample ID 56207
Solvent CDCl3