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USBZGAWMMBVMJH-MSWFXQITSA-M

View entire compound with spectra: 2 NMR

USBZGAWMMBVMJH-MSWFXQITSA-M
SpectraBase Compound ID K3kltYo6umR
InChI InChI=1S/C35H68Cl4N6O2P3S.CHF3O3S/c1-21(2)42(22(3)4)49(51,43(23(5)6)24(7)8)35(48(18,19)20)40-41-50(44(25(9)10)26(11)12,45(27(13)14)28(15)16)47-34-32(39)30(37)29(36)31(38)33(34)46-17;2-1(3,4)8(5,6)7/h21-28H,1-20H3;(H,5,6,7)/q+1;/p-1/b41-40+;
InChIKey USBZGAWMMBVMJH-MSWFXQITSA-M
Mol Weight 1020.8 g/mol
Molecular Formula C36H68Cl4F3N6O5P3S2
Exact Mass 1018.261168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9WXfXTnTU0d
Name USBZGAWMMBVMJH-MSWFXQITSA-M
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H68Cl4F3N6O5P3S2
InChI InChI=1S/C35H68Cl4N6O2P3S.CHF3O3S/c1-21(2)42(22(3)4)49(51,43(23(5)6)24(7)8)35(48(18,19)20)40-41-50(44(25(9)10)26(11)12,45(27(13)14)28(15)16)47-34-32(39)30(37)29(36)31(38)33(34)46-17;2-1(3,4)8(5,6)7/h21-28H,1-20H3;(H,5,6,7)/q+1;/p-1/b41-40+;
InChIKey USBZGAWMMBVMJH-MSWFXQITSA-M
Literature Reference Author N.DUBAU-ASSIBAT,A.BACEIREDO,G.BERTRAND
Literature Reference Citation J.AM.CHEM.SOC.,118,5216(1996)
Literature Reference DOI 10.1021/ja960491g
Molecular Weight 1020.822 g/mol
Sample ID 55028
Solvent CDCl3