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Dimethyl ceanothate
SpectraBase Compound ID 5dRZGyijHi1
InChI InChI=1S/C32H50O5/c1-18(2)19-12-15-32(27(35)37-9)17-16-29(5)20(23(19)32)10-11-22-30(29,6)14-13-21-28(3,4)25(33)24(26(34)36-8)31(21,22)7/h19-25,33H,1,10-17H2,2-9H3/t19-,20+,21-,22-,23+,24+,25-,29+,30+,31-,32-/m0/s1
InChIKey OTJNVRIBONQVIF-VSBKJJMFSA-N
Mol Weight 514.7 g/mol
Molecular Formula C32H50O5
Exact Mass 514.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CV6LCiWpwc
Name DIMETHYL-CEANOTHATE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H50O5
InChI InChI=1S/C32H50O5/c1-18(2)19-12-15-32(27(35)37-9)17-16-29(5)20(23(19)32)10-11-22-30(29,6)14-13-21-28(3,4)25(33)24(26(34)36-8)31(21,22)7/h19-25,33H,1,10-17H2,2-9H3/t19-,20+,21-,22-,23+,24+,25-,29+,30+,31-,32-/m0/s1
InChIKey OTJNVRIBONQVIF-VSBKJJMFSA-N
Literature Reference Author D.B.DOMINGUEZ-CARMONA,F.ESCALANTE-EROSA,K.GARCIA-SOSA,G.RUIZ -PINELL
Literature Reference Citation J.BRAZ.CHEM.SOC.,22,1279(2011)
Literature Reference DOI 10.1590/s0103-50532011000700013
Molecular Weight 514.746 g/mol
Source File Reference UWBT5672