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(1R,2R)-3-keto-1-(2-thienyl)-2,4-dihydro-1H-azulene-2-carboxylic acid ethyl ester
SpectraBase Compound ID Ji46GsJcUXc
InChI InChI=1S/C17H16O3S/c1-2-20-17(19)15-14(13-9-6-10-21-13)11-7-4-3-5-8-12(11)16(15)18/h3-7,9-10,14-15H,2,8H2,1H3/t14-,15-/m1/s1
InChIKey PSGBBWRGGKKZLH-HUUCEWRRSA-N
Mol Weight 300.37 g/mol
Molecular Formula C17H16O3S
Exact Mass 300.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6aHHhvxsmx3
Name (1R,2R)-3-keto-1-(2-thienyl)-2,4-dihydro-1H-azulene-2-carboxylic acid ethyl ester
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Formula C17H16O3S
InChI InChI=1S/C17H16O3S/c1-2-20-17(19)15-14(13-9-6-10-21-13)11-7-4-3-5-8-12(11)16(15)18/h3-7,9-10,14-15H,2,8H2,1H3/t14-,15-/m1/s1
InChIKey PSGBBWRGGKKZLH-HUUCEWRRSA-N
Molecular Weight 300.372 g/mol
SMILES [C@]1(C(C=2CC=CC=CC2[C@@]1(c1sccc1)[H])=O)(C(=O)OCC)[H]
SPLASH splash10-0w4i-5549000000-6b9148085fa3da5a387b
Source of Spectrum SO-0-1351-2
Synonyms (1R,2R)-3-oxo-1-thiophen-2-yl-2,4-dihydro-1H-azulene-2-carboxylic acid ethyl ester Ethyl (1R,2R)-3-oxidanylidene-1-thiophen-2-yl-2,4-dihydro-1H-azulene-2-carboxylate Ethyl (1R,2R)-3-oxo-1-(2-thienyl)-2,4-dihydro-1H-azulene-2-carboxylate Ethyl (1R,2R)-3-oxo-1-thiophen-2-yl-2,4-dihydro-1H-azulene-2-carboxylate
Wiley ID 876985