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3,4,8,8a-Tetrahydro-8a-[(2'-bromo-1'-cyclohexenyl)methyl]-1,6-(2H,7H)-naphthalenedione
SpectraBase Compound ID BrnkSlZkHv
InChI InChI=1S/C17H21BrO2/c18-15-6-2-1-4-12(15)11-17-9-8-14(19)10-13(17)5-3-7-16(17)20/h10H,1-9,11H2
InChIKey GSCIGESPLADHER-UHFFFAOYSA-N
Mol Weight 337.26 g/mol
Molecular Formula C17H21BrO2
Exact Mass 336.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UtDAGYP3MP
Name 3,4,8,8a-Tetrahydro-8a-[(2'-bromo-1'-cyclohexenyl)methyl]-1,6-(2H,7H)-naphthalenedione
Alternate Name(s) 8a-[(2-bromo-1-cyclohexenyl)methyl]-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione 8a-[(2-bromocyclohexen-1-yl)methyl]-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione 8a-[(2-bromanylcyclohexen-1-yl)methyl]-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
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Formula C17H21BrO2
InChI InChI=1S/C17H21BrO2/c18-15-6-2-1-4-12(15)11-17-9-8-14(19)10-13(17)5-3-7-16(17)20/h10H,1-9,11H2
InChIKey GSCIGESPLADHER-UHFFFAOYSA-N
Molecular Weight 337.257 g/mol
SMILES C12(C(=CC(CC2)=O)CCCC1=O)CC1=C(Br)CCCC1
SPLASH splash10-002f-9200000000-8dc64a00910834da4a34
Source of Spectrum SK-24-289-1c
Wiley ID 866064