SpectraBase Compound ID | 1BRC5cnlouP |
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InChI | InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
InChIKey | MQZIGYBFDRPAKN-QISQUURKSA-N |
Mol Weight | 596.9 g/mol |
Molecular Formula | C40H52O4 |
Exact Mass | 596.38656 g/mol |
SpectraBase Spectrum ID | 7qUGMrSlGFE |
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Name | 4,4'-Dioxo-3,3'-dihydroxy.beta.-carotene |
CAS Registry Number | 472-61-7 |
Comments | G.ENGLERT,F.KIENZLE,K.NO |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C40H52O4 |
InChI | InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
InChIKey | MQZIGYBFDRPAKN-QISQUURKSA-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 |