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3-Methoxy-6,9-epoxy-9-(3-Hydroxypropyl)-5,6,7,8-tetrahydrobenzo[a]cycloheptene
SpectraBase Compound ID KLkE6CPJXEQ
InChI InChI=1S/C15H20O3/c1-17-12-3-4-14-11(9-12)10-13-5-7-15(14,18-13)6-2-8-16/h3-4,9,13,16H,2,5-8,10H2,1H3/t13-,15+/m1/s1
InChIKey IWLXLDCUTPAVQJ-HIFRSBDPSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQcNPIjpuiO
Name 3-Methoxy-6,9-epoxy-9-(3-Hydroxypropyl)-5,6,7,8-tetrahydrobenzo[a]cycloheptene
Alternate Name(s) 3-((1S,9R)-5-Methoxy-12-oxa-tricyclo[7.2.1.0*2,7*]dodeca-2,4,6-trien-1-yl)-propan-1-ol 3-(5-Methoxy-12-oxatricyclo[7.2.1.0(2,7)]dodeca-2,4,6-trien-1-yl)-1-propanol
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Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-17-12-3-4-14-11(9-12)10-13-5-7-15(14,18-13)6-2-8-16/h3-4,9,13,16H,2,5-8,10H2,1H3/t13-,15+/m1/s1
InChIKey IWLXLDCUTPAVQJ-HIFRSBDPSA-N
Molecular Weight 248.322 g/mol
SMILES OCCC[C@]12c3c(cc(cc3)OC)C[C@](O1)(CC2)[H]
SPLASH splash10-014i-0390000000-c6061d4b0fc8b51382ad
Source of Spectrum KC-0-1191-5
Wiley ID 827848