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(1R,2R,3S,4R)-3-[(4-Methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl (R/S)-2,4-dimethylpent-4-enoate
SpectraBase Compound ID L16vEli2If7
InChI InChI=1S/C25H36O3/c1-16(2)14-17(3)23(26)28-22-20(15-18-8-10-19(27-7)11-9-18)21-12-13-25(22,6)24(21,4)5/h8-11,17,20-22H,1,12-15H2,2-7H3/t17?,20-,21+,22-,25+/m1/s1
InChIKey HPFGSSBRSIEQKS-XFGVLLKOSA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36O3
Exact Mass 384.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VrHWeppm7N
Name (1R,2R,3S,4R)-3-[(4-Methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl (R/S)-2,4-dimethylpent-4-enoate
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Formula C25H36O3
InChI InChI=1S/C25H36O3/c1-16(2)14-17(3)23(26)28-22-20(15-18-8-10-19(27-7)11-9-18)21-12-13-25(22,6)24(21,4)5/h8-11,17,20-22H,1,12-15H2,2-7H3/t17?,20-,21+,22-,25+/m1/s1
InChIKey HPFGSSBRSIEQKS-XFGVLLKOSA-N
Molecular Weight 384.560 g/mol
SMILES [C@@]12([C@@]([C@](Cc3ccc(cc3)OC)([C@@](C1(C)C)(CC2)[H])[H])(OC(C(CC(=C)C)C)=O)[H])C
SPLASH splash10-05fr-1950000000-8684e0095421fd1316c6
Source of Spectrum C5-2002-1397-6
Synonyms (1R,2R,3S,4R)-3-[(4-Methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester of (R/S)-2,4-Dimethylpent-4-enoic acid
Wiley ID 1614743