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8.alpha.-Ethoxycarbonyl-1-.beta.-methoxy-(6H.beta.)-bicyclo[4.2.1]nona-2,4-diene
SpectraBase Compound ID 1F2IrOzV2Gl
InChI InChI=1S/C13H18O3/c1-3-16-13(14)11-8-9-5-4-6-12(15-2)10(11)7-9/h4-6,9-11H,3,7-8H2,1-2H3/t9?,10-,11+/m0/s1
InChIKey VCWNWTIPDHYPIP-QXXIUIOUSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwBICQJrOLo
Name 8.alpha.-Ethoxycarbonyl-1-.beta.-methoxy-(6H.beta.)-bicyclo[4.2.1]nona-2,4-diene
Alternate Name(s) Ethyl (6S,7R)-5-methoxybicyclo[4.2.1]nona-2,4-diene-7-carboxylate
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Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-3-16-13(14)11-8-9-5-4-6-12(15-2)10(11)7-9/h4-6,9-11H,3,7-8H2,1-2H3/t9?,10-,11+/m0/s1
InChIKey VCWNWTIPDHYPIP-QXXIUIOUSA-N
Molecular Weight 222.284 g/mol
SMILES [C@@]12([C@](C(=O)OCC)(CC(C2)C=CC=C1OC)[H])[H]
SPLASH splash10-00di-0910000000-2e62335d2ef416338eb3
Source of Spectrum F-49-5502-7
Wiley ID 1222687