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13-Apo.beta.-caroten-13-one
SpectraBase Compound ID 8gDdJLmmBKl
InChI InChI=1S/C18H26O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+
InChIKey UBTNVRPIHJRBCI-LUXGDSJYSA-N
Mol Weight 258.4 g/mol
Molecular Formula C18H26O
Exact Mass 258.198365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEZZWHacuz2
Name 6-METHYL-8-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-trans-3, trans-5, trans-7-OCTATRIEN-2-ONE
Source of Sample W. Bremser, J. Paust Org. Magn, Resonance 6, 433(1974)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O
InChI InChI=1S/C18H26O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+
InChIKey UBTNVRPIHJRBCI-LUXGDSJYSA-N
Molecular Weight 258.41
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms 13-APO-B-CAROTEN-13-ONE OCTATRIEN-2-ONE, 3,5,7-, 6-METHYL- 8-/2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL/-, trans-,trans-,trans-,