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2,2-Dimethylpropionic acid (3aRS,7aSR)-3-(furan-3-yl)-3a,7,7-trimethyl-1-oxo-3a,6,7,7a-tetrahydro-1H-inden-4-yl ester
SpectraBase Compound ID HEWAYmOvyAF
InChI InChI=1S/C21H26O4/c1-19(2,3)18(23)25-16-7-9-20(4,5)17-15(22)11-14(21(16,17)6)13-8-10-24-12-13/h7-8,10-12,17H,9H2,1-6H3/t17-,21+/m0/s1
InChIKey QQQGFTPPOLQGOZ-LAUBAEHRSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zvLRqPoFFz
Name 2,2-Dimethylpropionic acid (3aRS,7aSR)-3-(furan-3-yl)-3a,7,7-trimethyl-1-oxo-3a,6,7,7a-tetrahydro-1H-inden-4-yl ester
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Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-19(2,3)18(23)25-16-7-9-20(4,5)17-15(22)11-14(21(16,17)6)13-8-10-24-12-13/h7-8,10-12,17H,9H2,1-6H3/t17-,21+/m0/s1
InChIKey QQQGFTPPOLQGOZ-LAUBAEHRSA-N
Molecular Weight 342.435 g/mol
SMILES [C@]12(C(=CC([C@]2(C(CC=C1OC(C(C)(C)C)=O)(C)C)[H])=O)c1cocc1)C
SPLASH splash10-00di-2960000000-c0f8332063a5a922aa43
Source of Spectrum KC-57-1055-14
Synonyms 2,2-Dimethylpropanoic acid [(3aR,7aS)-3-(3-furanyl)-3a,7,7-trimethyl-1-oxo-6,7a-dihydroinden-4-yl] ester [(3aR,7aS)-3-(furan-3-yl)-3a,7,7-trimethyl-1-oxo-6,7a-dihydroinden-4-yl] 2,2-dimethylpropanoate [(3aR,7aS)-3-(3-furyl)-3a,7,7-trimethyl-1-oxo-6,7a-dihydroinden-4-yl] 2,2-dimethylpropanoate [(3aR,7aS)-3-(furan-3-yl)-3a,7,7-trimethyl-1-oxidanylidene-6,7a-dihydroinden-4-yl] 2,2-dimethylpropanoate
Wiley ID 1622827