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

*Links on SpectraBase are not permalinks.
1-(4-Cl-5-(dpa-methylamino)-3-anisyl-2,10,12-trime-6-methoxy-7,7-bis(ethylthio)-9-eeo-11,12-epoxy-2,4-tridecadien-13-al
SpectraBase Compound ID IMGzY6LssTV
InChI InChI=1S/C39H63ClNO10PS2/c1-13-47-29(8)50-33(28(7)37-38(9,26-42)51-37)24-39(53-16-4,54-17-5)34(46-12)20-18-19-27(6)21-30-22-31(36(40)32(23-30)45-11)41(10)35(43)25-52(44,48-14-2)49-15-3/h18-20,22-23,26,28-29,33-34,37H,13-17,21,24-25H2,1-12H3/b20-18+,27-19+
InChIKey KMXFGCGJZUZSKC-USAYKVEYSA-N
Mol Weight 836.5 g/mol
Molecular Formula C39H63ClNO10PS2
Exact Mass 835.331954 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 1vKWJ2ohmyY
Name 1-(4-Cl-5-(dpa-methylamino)-3-anisyl-2,10,12-trime-6-methoxy-7,7-bis(ethylthio)-9-eeo-11,12-epoxy-2,4-tridecadien-13-al
CAS Registry Number 86117-47-7
Comments EEO:1-ETHOXY-ETHOXY,DPA:DIETHYLPHOSPHONO-ACETYL,CL:CHLORO,TRIME: TRIMETHYL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C39H63ClNO10PS2
InChI InChI=1S/C39H63ClNO10PS2/c1-13-47-29(8)50-33(28(7)37-38(9,26-42)51-37)24-39(53-16-4,54-17-5)34(46-12)20-18-19-27(6)21-30-22-31(36(40)32(23-30)45-11)41(10)35(43)25-52(44,48-14-2)49-15-3/h18-20,22-23,26,28-29,33-34,37H,13-17,21,24-25H2,1-12H3/b20-18+,27-19+
InChIKey KMXFGCGJZUZSKC-USAYKVEYSA-N
Literature Reference A.I. Meyers, K.A. Babiak, A.L. Campbell, J. Am. Chem. Soc. 105, 5015 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3