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(1S,2R)-1-(4-nitrophenyl)-3-oxo-2,4-dihydro-1H-azulene-2-carboxylic acid ethyl ester
SpectraBase Compound ID LrhUg6r2iV1
InChI InChI=1S/C19H17NO5/c1-2-25-19(22)17-16(12-8-10-13(11-9-12)20(23)24)14-6-4-3-5-7-15(14)18(17)21/h3-6,8-11,16-17H,2,7H2,1H3/t16-,17+/m0/s1
InChIKey HYKITNFQZFMMMV-DLBZAZTESA-N
Mol Weight 339.35 g/mol
Molecular Formula C19H17NO5
Exact Mass 339.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVAXuk3DdoO
Name (1S,2R)-1-(4-nitrophenyl)-3-oxo-2,4-dihydro-1H-azulene-2-carboxylic acid ethyl ester
Alternate Name(s) (1S,2R)-3-keto-1-(4-nitrophenyl)-2,4-dihydro-1H-azulene-2-carboxylic acid ethyl ester Ethyl (1S,2R)-1-(4-nitrophenyl)-3-oxidanylidene-2,4-dihydro-1H-azulene-2-carboxylate Ethyl (1S,2R)-1-(4-nitrophenyl)-3-oxo-2,4-dihydro-1H-azulene-2-carboxylate
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Formula C19H17NO5
InChI InChI=1S/C19H17NO5/c1-2-25-19(22)17-16(12-8-10-13(11-9-12)20(23)24)14-6-4-3-5-7-15(14)18(17)21/h3-6,8-11,16-17H,2,7H2,1H3/t16-,17+/m0/s1
InChIKey HYKITNFQZFMMMV-DLBZAZTESA-N
Molecular Weight 339.347 g/mol
SMILES [C@]1(C(C=2CC=CC=CC2[C@@]1(c1ccc(N(=O)=O)cc1)[H])=O)(C(=O)OCC)[H]
SPLASH splash10-014i-5977000000-67844b2fa38bf943c760
Source of Spectrum SO-0-186-4
Wiley ID 876249