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Methyl (13RS,14SR)-13,14-Dihydro-13,14-epoxyretinoate
SpectraBase Compound ID LuipCMhe9in
InChI InChI=1S/C21H30O3/c1-15(9-7-14-21(5)18(24-21)19(22)23-6)11-12-17-16(2)10-8-13-20(17,3)4/h7,9,11-12,14,18H,8,10,13H2,1-6H3/b12-11+,14-7+,15-9+
InChIKey INYUWNRXHBVHJI-VUDRRGNOSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fm7Gv1vwcV2
Name Methyl (13RS,14SR)-13,14-Dihydro-13,14-epoxyretinoate
Alternate Name(s) Methyl 3-methyl-3-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5-hexatrienyl]-2-oxiranecarboxylate
CAS Registry Number 71987-70-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-15(9-7-14-21(5)18(24-21)19(22)23-6)11-12-17-16(2)10-8-13-20(17,3)4/h7,9,11-12,14,18H,8,10,13H2,1-6H3/b12-11+,14-7+,15-9+
InChIKey INYUWNRXHBVHJI-VUDRRGNOSA-N
Molecular Weight 330.468 g/mol
SMILES C1(OC1(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)C(=O)OC
SPLASH splash10-03dj-0409000000-d6f042e6c04dca11f2df
Source of Spectrum J-44-4989-0
Wiley ID 1328259