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Methyl (6RS,8RS,9SR)-8-hydroxy-8-isopropyl-9-methyl-5,6,7,8,9,10-hexahydro-benzo[8]annulene-6-carboxylate
SpectraBase Compound ID COpWILGoKKc
InChI InChI=1S/C18H26O3/c1-12(2)18(20)11-16(17(19)21-4)10-15-8-6-5-7-14(15)9-13(18)3/h5-8,12-13,16,20H,9-11H2,1-4H3/t13-,16+,18+/m0/s1
InChIKey OJQXRUBQHPDFEP-FDQGKXFDSA-N
Mol Weight 290.4 g/mol
Molecular Formula C18H26O3
Exact Mass 290.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSQI6x6Ho7e
Name Methyl (6RS,8RS,9SR)-8-hydroxy-8-isopropyl-9-methyl-5,6,7,8,9,10-hexahydro-benzo[8]annulene-6-carboxylate
Appearance Colourless crystals
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Formula C18H26O3
InChI InChI=1S/C18H26O3/c1-12(2)18(20)11-16(17(19)21-4)10-15-8-6-5-7-14(15)9-13(18)3/h5-8,12-13,16,20H,9-11H2,1-4H3/t13-,16+,18+/m0/s1
InChIKey OJQXRUBQHPDFEP-FDQGKXFDSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.6.141
Molecular Weight 290.403 g/mol
SMILES O[C@@]1([C@](Cc2ccccc2C[C@](C1)(C(=O)OC)[H])(C)[H])C(C)C
SPLASH splash10-014v-4980000000-252027b20cf92a1dda21
Source of Spectrum BJO-6-1241-25
Wiley ID 1871700