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Obtusal B

View entire compound with spectra: 1 MS (GC)

Obtusal B
SpectraBase Compound ID BD9nQ2qfHFQ
InChI InChI=1S/C20H32O3/c1-14(7-6-8-15(2)13-21)11-18(22)23-17-12-16-9-10-20(17,5)19(16,3)4/h8,13-14,16-17H,6-7,9-12H2,1-5H3/b15-8+/t14-,16-,17+,20+/m0/s1
InChIKey KTMRENYEKLIDBV-QOKZTVNKSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKGjtZws2pr
Name Obtusal B
Alternate Name(s) 1',7',7'-Trimethylbicyclo[2.2.1]hepyt-2'-yl 8-formyl-3,7-dimethyloct-6-en-1-oate
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Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-14(7-6-8-15(2)13-21)11-18(22)23-17-12-16-9-10-20(17,5)19(16,3)4/h8,13-14,16-17H,6-7,9-12H2,1-5H3/b15-8+/t14-,16-,17+,20+/m0/s1
InChIKey KTMRENYEKLIDBV-QOKZTVNKSA-N
Molecular Weight 320.473 g/mol
SMILES [C@@]12(C([C@@](CC2)(C[C@]1(OC(=O)C[C@](CC\C=C\(C=O)C)(C)[H])[H])[H])(C)C)C
SPLASH splash10-00el-8900000000-a99e5405b878aef7f023
Source of Spectrum H-85-2662-2
Wiley ID 1524525