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BKYZUUCQKRUACL-ITBHCLRTSA-N

View entire compound with spectra: 1 NMR

BKYZUUCQKRUACL-ITBHCLRTSA-N
SpectraBase Compound ID JOmiMurtQet
InChI InChI=1S/C22H26O5S/c1-2-13-25-20-19(24)18(14-23)27-22(28-17-11-7-4-8-12-17)21(20)26-15-16-9-5-3-6-10-16/h2-12,18-24H,1,13-15H2/t18-,19-,20+,21+,22-/m0/s1
InChIKey BKYZUUCQKRUACL-ITBHCLRTSA-N
Mol Weight 402.51 g/mol
Molecular Formula C22H26O5S
Exact Mass 402.150095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6MFR4G1TDmr
Name BKYZUUCQKRUACL-ITBHCLRTSA-N
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O5S
InChI InChI=1S/C22H26O5S/c1-2-13-25-20-19(24)18(14-23)27-22(28-17-11-7-4-8-12-17)21(20)26-15-16-9-5-3-6-10-16/h2-12,18-24H,1,13-15H2/t18-,19-,20+,21+,22-/m0/s1
InChIKey BKYZUUCQKRUACL-ITBHCLRTSA-N
Literature Reference Author I.MATSUO,M.WADA,S.MANABE,Y.YAMAGUCHI,K.OTAKE,K.KATO,Y.ITO
Literature Reference Citation J.AM.CHEM.SOC.,125,3402(2003)
Literature Reference DOI 10.1021/ja021288q
Molecular Weight 402.505 g/mol
Sample ID 30289
Solvent CDCl3