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VXBMJYVXAXXIED-ZLDLZGGQSA-M

View entire compound with spectra: 1 NMR

VXBMJYVXAXXIED-ZLDLZGGQSA-M
SpectraBase Compound ID 4PyDho4PcUW
InChI InChI=1S/C19H27OS.CHF3O3S/c1-4-7-17-14-19(20-3)13-6-5-8-18(19)21(17)16-11-9-15(2)10-12-16;2-1(3,4)8(5,6)7/h4,9-12,17-18H,1,5-8,13-14H2,2-3H3;(H,5,6,7)/q+1;/p-1/t17-,18-,19-,21?;/m0./s1
InChIKey VXBMJYVXAXXIED-ZLDLZGGQSA-M
Mol Weight 452.55 g/mol
Molecular Formula C20H27F3O4S2
Exact Mass 452.130286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5UhVbsCrLe
Name VXBMJYVXAXXIED-ZLDLZGGQSA-M
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27F3O4S2
InChI InChI=1S/C19H27OS.CHF3O3S/c1-4-7-17-14-19(20-3)13-6-5-8-18(19)21(17)16-11-9-15(2)10-12-16;2-1(3,4)8(5,6)7/h4,9-12,17-18H,1,5-8,13-14H2,2-3H3;(H,5,6,7)/q+1;/p-1/t17-,18-,19-,21?;/m0./s1
InChIKey VXBMJYVXAXXIED-ZLDLZGGQSA-M
Literature Reference Author D.S.CHEKMAREV,M.I.LAZAREVA,G.V.ZATONSKY,A.V.MASKAEV,R.CAPLE, W.SMIT
Literature Reference Citation J.ORG.CHEM.,67,7957(2002)
Literature Reference DOI 10.1021/jo0261202
Molecular Weight 452.547 g/mol
Solvent CD2Cl2
Source File Reference UWMS23719