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(1aS,4R,6aR)-4-Octyl-1,1a,2,3,4,5,6,6a-octahydro-cyclopropa[f]indene-1-carboxylic acid ethyl ester
SpectraBase Compound ID KLECUYY1RsD
InChI InChI=1S/C21H34O2/c1-3-5-6-7-8-9-10-15-11-16-13-18-19(14-17(16)12-15)20(18)21(22)23-4-2/h15,18-20H,3-14H2,1-2H3/t15-,18+,19-,20?
InChIKey ZFZOBXJPGYLRAY-FGTICOJQSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7AaV1MZLEcg
Name (1aS,4R,6aR)-4-Octyl-1,1a,2,3,4,5,6,6a-octahydro-cyclopropa[f]indene-1-carboxylic acid ethyl ester
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Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-3-5-6-7-8-9-10-15-11-16-13-18-19(14-17(16)12-15)20(18)21(22)23-4-2/h15,18-20H,3-14H2,1-2H3/t15-,18+,19-,20?
InChIKey ZFZOBXJPGYLRAY-FGTICOJQSA-N
Molecular Weight 318.501 g/mol
SMILES [C@]12([C@@](CC3=C(C2)C[C@](CCCCCCCC)([H])C3)([H])C1C(=O)OCC)[H]
SPLASH splash10-03di-0922000000-cbb99dffd170dabb8e6e
Source of Spectrum C-88-3272-9
Synonyms Ethyl (1aR,4S)-octahydro-4-octylcyclopropa[f]indene-1-carboxylate Ethyl (1aR,6aS)-4-octyl-1,1a,2,3,4,5,6,6a-octahydrocyclopropa[f]indene-1-carboxylate
Wiley ID 1590575