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Iso-obtusadiene
SpectraBase Compound ID 775Grk8fc9q
InChI InChI=1S/C15H21BrO/c1-10-5-7-15(8-6-10)11(2)9-12(17)13(16)14(15,3)4/h5,7,12-13,17H,1-2,6,8-9H2,3-4H3/t12-,13-,15?/m0/s1
InChIKey SMNXRJZEJDBZFT-QNIGDANOSA-N
Mol Weight 297.24 g/mol
Molecular Formula C15H21BrO
Exact Mass 296.077578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQkZzqhXFFe
Name Iso-obtusadiene
Alternate Name(s) 11,11-Dimethyl-3,7-dimethylene-9-hydroxy-10-bromo-spiro[6.5]undec-4-ene (3S,4R)-4-bromo-5,5-dimethyl-1,9-dimethylene-3-spiro[5.5]undec-10-enol (3S,4R)-4-bromo-5,5-dimethyl-1,9-dimethylidenespiro[5.5]undec-10-en-3-ol (3S,4R)-4-bromanyl-5,5-dimethyl-1,9-dimethylidene-spiro[5.5]undec-10-en-3-ol
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Formula C15H21BrO
InChI InChI=1S/C15H21BrO/c1-10-5-7-15(8-6-10)11(2)9-12(17)13(16)14(15,3)4/h5,7,12-13,17H,1-2,6,8-9H2,3-4H3/t12-,13-,15?/m0/s1
InChIKey SMNXRJZEJDBZFT-QNIGDANOSA-N
Molecular Weight 297.236 g/mol
SMILES O[C@]1(CC(C2(C([C@]1(Br)[H])(C)C)C=CC(CC2)=C)=C)[H]
SPLASH splash10-014l-9700000000-89694b1984fa0db4825a
Source of Spectrum X2-50-1134-2
Wiley ID 1602513