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UKDHTUVXILXEGV-CTYAZUAOSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

UKDHTUVXILXEGV-CTYAZUAOSA-N
SpectraBase Compound ID CkPxqxp6sw0
InChI InChI=1S/C20H28O2/c1-16(15-19(21)22-5)11-8-6-7-9-13-18-17(2)12-10-14-20(18,3)4/h6-9,11,13,15H,10,12,14H2,1-5H3/b7-6+,11-8+,13-9+,16-15+
InChIKey UKDHTUVXILXEGV-CTYAZUAOSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1COUP28zw7C
Name Methyl 9-desmethylretinoate
Alternate Name(s) Methyl (2E,4E,6E,8E)-3-methyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate
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Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-16(15-19(21)22-5)11-8-6-7-9-13-18-17(2)12-10-14-20(18,3)4/h6-9,11,13,15H,10,12,14H2,1-5H3/b7-6+,11-8+,13-9+,16-15+
InChIKey UKDHTUVXILXEGV-CTYAZUAOSA-N
Molecular Weight 300.442 g/mol
SMILES C1(=C(CCCC1(C)C)C)\C=C\C=C\C=C\C(=C\C(=O)OC)C
SPLASH splash10-0udi-9416000000-59a4a424a015d7861eb6
Source of Spectrum F-55-15092-48
Wiley ID 840219