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QVICJAVDUCOKMH-QQXHRLQXSA-N

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QVICJAVDUCOKMH-QQXHRLQXSA-N
SpectraBase Compound ID 7GPDC7CJeuG
InChI InChI=1S/C44H52O6/c1-29(19-15-21-31(3)23-25-37-33(5)41(47)39(49-35(7)45)27-43(37,9)10)17-13-14-18-30(2)20-16-22-32(4)24-26-38-34(6)42(48)40(50-36(8)46)28-44(38,11)12/h13-28H,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,29-17+,30-18+,31-21+,32-22+
InChIKey QVICJAVDUCOKMH-QQXHRLQXSA-N
Mol Weight 676.9 g/mol
Molecular Formula C44H52O6
Exact Mass 676.376389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWg2OpHRs5o
Name 2,3,2',3'-Tetradehydro-4,4'-dioxo-3,3'-diacetoxy.beta.-carotene
CAS Registry Number 5794-15-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H52O6
InChI InChI=1S/C44H52O6/c1-29(19-15-21-31(3)23-25-37-33(5)41(47)39(49-35(7)45)27-43(37,9)10)17-13-14-18-30(2)20-16-22-32(4)24-26-38-34(6)42(48)40(50-36(8)46)28-44(38,11)12/h13-28H,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,29-17+,30-18+,31-21+,32-22+
InChIKey QVICJAVDUCOKMH-QQXHRLQXSA-N
Instrument Name Bruker HX-90
Literature Reference G. Englert, Helv. Chim. Acta 58, 2367 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3