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METHYL-(6RS,8RS,10SR)-8-HYDROXY-8-ISOPROPYL-10-METHYL-5,6,7,8,9,10-HEXAHYDRO-BENZO-[8]-ANNULENE-6-CARBOXYLATE
SpectraBase Compound ID DtlEyOWZDvd
InChI InChI=1S/C18H26O3/c1-12(2)18(20)10-13(3)16-8-6-5-7-14(16)9-15(11-18)17(19)21-4/h5-8,12-13,15,20H,9-11H2,1-4H3/t13-,15-,18-/m1/s1
InChIKey CBTAFWVTQKRJHC-DDUZABMNSA-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 4bMlsFOhk0
Name Methyl (6RS,8RS,10RS)-8-hydroxy-8-isopropyl-10-methyl-5,6,7,8,9,10-hexahydro-benzo[8]annulene-6-carboxylate
Appearance Colourless oil
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Formula C18H26O3
InChI InChI=1S/C18H26O3/c1-12(2)18(20)10-13(3)16-8-6-5-7-14(16)9-15(11-18)17(19)21-4/h5-8,12-13,15,20H,9-11H2,1-4H3/t13-,15-,18-/m1/s1
InChIKey CBTAFWVTQKRJHC-DDUZABMNSA-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[C@](c2c(C[C@](C1)(C(=O)OC)[H])cccc2)(C)[H])C(C)C
SPLASH splash10-00ke-6890000000-06063d4799aa6dc9cf8b
Source of Spectrum BJO-6-1239-12
Wiley ID 1871695