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rel-(1R,2R,5R)-2-Oxabicyclo[3.3.1]nonane
SpectraBase Compound ID Jn6WMmdNmxY
InChI InChI=1S/C10H14O3/c1-12-10(11)9-8-4-2-3-7(5-8)6-13-9/h2,4,7-9H,3,5-6H2,1H3/t7-,8+,9-/m0/s1
InChIKey SXDTYYGRGCSXGW-YIZRAAEISA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vF606LKfA
Name rel-(1R,2R,5R)-2-Oxabicyclo[3.3.1]nonane
Alternate Name(s) rel-(1R,2R,5R)-3-Oxa-bicyclo[3.3.1]non-7-ene-2-carboxylic acid methyl ester
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Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-12-10(11)9-8-4-2-3-7(5-8)6-13-9/h2,4,7-9H,3,5-6H2,1H3/t7-,8+,9-/m0/s1
InChIKey SXDTYYGRGCSXGW-YIZRAAEISA-N
Molecular Weight 182.219 g/mol
SMILES [C@]1(OC[C@]2(CC=C[C@@]1(C2)[H])[H])(C(=O)OC)[H]
SPLASH splash10-00b9-8900000000-125749a0ffe5ea53ce77
Source of Spectrum F-50-7126-26
Wiley ID 1178540