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1,2-Dioxetane, retinoic acid deriv.
SpectraBase Compound ID 5B4knFYHHgM
InChI InChI=1S/C20H28O4/c1-13(12-16(21)22)8-6-9-15(3)18-19(24-23-18)17-14(2)10-7-11-20(17,4)5/h6,8-9,12,18-19H,7,10-11H2,1-5H3,(H,21,22)/b8-6+,13-12-,15-9-
InChIKey OOJYQBBZNILWLA-WTOIJXBTSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AISsZ8i48Kd
Name 1,2-Dioxetane, retinoic acid deriv.
CAS Registry Number 129454-97-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13(12-16(21)22)8-6-9-15(3)18-19(24-23-18)17-14(2)10-7-11-20(17,4)5/h6,8-9,12,18-19H,7,10-11H2,1-5H3,(H,21,22)/b8-6+,13-12-,15-9-
InChIKey OOJYQBBZNILWLA-WTOIJXBTSA-N
Molecular Weight 332.440 g/mol
SMILES OC(\C=C/(\C=C\C=C/(C1C(C2=C(CCCC2(C)C)C)OO1)C)C)=O
SPLASH splash10-00kf-0931000000-4e7e4fe2aeded6eef094
Source of Spectrum F-45-7692-7
Synonyms Retinoic acid, 9,10-epidioxy-9,10-dihydro-, (9R,10S)-(.+-.)- (2Z,4E,6Z)-3-methyl-7-[4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,2-dioxetan-3-yl]-2,4,6-octatrienoic acid 2,4,6-Octatrienoic acid 9-cis -9,10-epidioxyretinoic acid
Wiley ID 1329616