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13-cis-12-Carboxyretinoic-acid
SpectraBase Compound ID EUCQ2EAAhyO
InChI InChI=1S/C21H28O4/c1-14(8-10-17(20(24)25)16(3)13-19(22)23)9-11-18-15(2)7-6-12-21(18,4)5/h8-11,13H,6-7,12H2,1-5H3,(H,22,23)(H,24,25)/b11-9+,14-8+,16-13-,17-10-
InChIKey BGOMUHYKLNJWPG-NPDZRATQSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JaymumIAEz6
Name 13-CIS-12-CARBOXYRETINOIC-ACID
CAS Registry Number 81176-74-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-14(8-10-17(20(24)25)16(3)13-19(22)23)9-11-18-15(2)7-6-12-21(18,4)5/h8-11,13H,6-7,12H2,1-5H3,(H,22,23)(H,24,25)/b11-9+,14-8+,16-13-,17-10-
InChIKey BGOMUHYKLNJWPG-NPDZRATQSA-N
Literature Reference Author A.H.LEWIN,M.G.WHALEY,S.R.PARKER,F.I.CARROLL
Literature Reference Citation J.ORG.CHEM.,47,1799(1982)
Literature Reference DOI 10.1021/jo00349a001
Molecular Weight 344.451 g/mol
Solvent DIOXANE-D8
Source File Reference UNIW20052