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(3aR,6S)-6-(2-thienyl)-3,3a,4,6-tetrahydrocyclopent[c]isoxazole-5,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID 5Hb1Vqt1BzZ
InChI InChI=1S/C16H19NO5S/c1-3-20-14(18)16(15(19)21-4-2)8-10-9-22-17-13(10)12(16)11-6-5-7-23-11/h5-7,10,12H,3-4,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKey QHKHYZWYUZJYKS-CMPLNLGQSA-N
Mol Weight 337.39 g/mol
Molecular Formula C16H19NO5S
Exact Mass 337.098394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdPygLvhDzo
Name (3aR,6S)-6-(2-thienyl)-3,3a,4,6-tetrahydrocyclopent[c]isoxazole-5,5-dicarboxylic acid diethyl ester
Alternate Name(s) (3aR,6S)-6-thiophen-2-yl-3,3a,4,6-tetrahydrocyclopenta[c]isoxazole-5,5-dicarboxylic acid diethyl ester Diethyl (3aR,6S)-6-(2-thienyl)-3,3a,4,6-tetrahydrocyclopenta[c]isoxazole-5,5-dicarboxylate Diethyl (3aR,6S)-6-thiophen-2-yl-3,3a,4,6-tetrahydrocyclopenta[c][1,2]oxazole-5,5-dicarboxylate
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Formula C16H19NO5S
InChI InChI=1S/C16H19NO5S/c1-3-20-14(18)16(15(19)21-4-2)8-10-9-22-17-13(10)12(16)11-6-5-7-23-11/h5-7,10,12H,3-4,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKey QHKHYZWYUZJYKS-CMPLNLGQSA-N
Molecular Weight 337.390 g/mol
SMILES C1([C@@](C2=NOC[C@@]2(C1)[H])(c1sccc1)[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-01p9-6059000000-c8868a1afa2f15e6293a
Source of Spectrum F-54-14008-5
Wiley ID 809750