For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

EMESTRIN

View entire compound with spectra: 2 NMR

EMESTRIN
SpectraBase Compound ID 6nqfvecIYAv
InChI InChI=1S/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-8-7-17-20(14)29(27)25(35)26(28,40-41-27)21(31)12-3-5-15(30)18(9-12)38-19-10-13(23(33)39-17)4-6-16(19)36-2/h3-11,17,20-22,30-32H,1-2H3/t17-,20-,21-,22+,26+,27+/m0/s1
InChIKey UWWYWUMDYAWTKK-YITDFDIYSA-N
Mol Weight 598.6 g/mol
Molecular Formula C27H22N2O10S2
Exact Mass 598.071587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DIc8LMJzCiI
Name EMESTRIN-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22N2O10S2
InChI InChI=1S/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-8-7-17-20(14)29(27)25(35)26(28,40-41-27)21(31)12-3-5-15(30)18(9-12)38-19-10-13(23(33)39-17)4-6-16(19)36-2/h3-11,17,20-22,30-32H,1-2H3/t17-,20-,21-,22+,26+,27+/m0/s1
InChIKey UWWYWUMDYAWTKK-YITDFDIYSA-N
Literature Reference Author T.T.BLADT,C.DUERR,P.B.KNUDSEN,S.KILDGAARD,J.C.FRISVAD,C.H.GO TFREDSEN,M.SEIFFERT
Literature Reference Citation MOLECULES,18,14629(2013)
Literature Reference DOI 10.3390/molecules181214629
Molecular Weight 598.599 g/mol
Solvent DMSO-D6
Source File Reference UWIR9914