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(1S,2R,4R,8S)-2,4-dimethoxy-3-oxidanylidene-8-propanoyl-bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
SpectraBase Compound ID 4LMtsjAJiJP
InChI InChI=1S/C14H18O5/c1-4-11(16)10-7-9-5-6-13(10,18-2)12(17)14(9,8-15)19-3/h5-6,8-10H,4,7H2,1-3H3/t9-,10-,13-,14+/m1/s1
InChIKey KBIOEGIFKHZHTJ-MHWZDGSBSA-N
Mol Weight 266.29 g/mol
Molecular Formula C14H18O5
Exact Mass 266.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHwP871GVrr
Name (1S,2R,4R,8S)-2,4-dimethoxy-3-oxidanylidene-8-propanoyl-bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
Alternate Name(s) (1S,2R,4R,8S)-2,4-dimethoxy-3-oxo-8-(1-oxopropyl)-2-bicyclo[2.2.2]oct-5-enecarboxaldehyde (1S,2R,4R,8S)-2,4-dimethoxy-3-oxo-8-propanoyl-bicyclo[2.2.2]oct-5-ene-2-carbaldehyde (1S,2R,4R,8S)-3-keto-2,4-dimethoxy-8-propionyl-bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
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Formula C14H18O5
InChI InChI=1S/C14H18O5/c1-4-11(16)10-7-9-5-6-13(10,18-2)12(17)14(9,8-15)19-3/h5-6,8-10H,4,7H2,1-3H3/t9-,10-,13-,14+/m1/s1
InChIKey KBIOEGIFKHZHTJ-MHWZDGSBSA-N
Molecular Weight 266.293 g/mol
SMILES [C@]12(C([C@@](C=O)(OC)[C@](C=C2)(C[C@@]1(C(=O)CC)[H])[H])=O)OC
SPLASH splash10-052k-3940000000-98f6d80473fcaa6ecc86
Source of Spectrum KC-0-570-20
Wiley ID 787485