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UPTYJUKWTSTSII-RAAOSYCLSA-N

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UPTYJUKWTSTSII-RAAOSYCLSA-N
SpectraBase Compound ID KPTxwE4cMTa
InChI InChI=1S/C44H60O4/c1-31(19-15-21-33(3)23-25-41-35(5)27-39(47-37(7)45)29-43(41,9)10)17-13-14-18-32(2)20-16-22-34(4)24-26-42-36(6)28-40(48-38(8)46)30-44(42,11)12/h13-24,35-36,39-40H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,31-17+,32-18+,33-21+,34-22+
InChIKey UPTYJUKWTSTSII-RAAOSYCLSA-N
Mol Weight 653.0 g/mol
Molecular Formula C44H60O4
Exact Mass 652.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TnWz1MCWQi
Name cis-3,3'-Diacetoxy-5,5'-dihydro-7,7'-didehydro.beta.-carotene
CAS Registry Number 58512-17-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H60O4
InChI InChI=1S/C44H60O4/c1-31(19-15-21-33(3)23-25-41-35(5)27-39(47-37(7)45)29-43(41,9)10)17-13-14-18-32(2)20-16-22-34(4)24-26-42-36(6)28-40(48-38(8)46)30-44(42,11)12/h13-24,35-36,39-40H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,31-17+,32-18+,33-21+,34-22+
InChIKey UPTYJUKWTSTSII-RAAOSYCLSA-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