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Pentanoic acid, 5-(2-phenyl-3a,4,6,6a-tetrahydro-thieno[3,4-d]oxazole-6-ylideno)-, methyl ester
SpectraBase Compound ID GeEwA9vppIr
InChI InChI=1S/C17H19NO3S/c1-20-15(19)10-6-5-9-14-16-13(11-22-14)18-17(21-16)12-7-3-2-4-8-12/h2-4,7-9,13,16H,5-6,10-11H2,1H3/b14-9+
InChIKey WGPPMIGXPQCLRF-NTEUORMPSA-N
Mol Weight 317.4 g/mol
Molecular Formula C17H19NO3S
Exact Mass 317.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUAnHCmKk4j
Name Pentanoic acid, 5-(2-phenyl-3a,4,6,6a-tetrahydro-thieno[3,4-d]oxazole-6-ylideno)-, methyl ester
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Formula C17H19NO3S
InChI InChI=1S/C17H19NO3S/c1-20-15(19)10-6-5-9-14-16-13(11-22-14)18-17(21-16)12-7-3-2-4-8-12/h2-4,7-9,13,16H,5-6,10-11H2,1H3/b14-9+
InChIKey WGPPMIGXPQCLRF-NTEUORMPSA-N
Molecular Weight 317.403 g/mol
SMILES c1ccc(C2=NC3C(\C(=C/CCCC(=O)OC)SC3)O2)cc1
SPLASH splash10-05yj-6900000000-cdfdd8648a8c37c0db16
Source of Spectrum AD-0-2532-0
Synonyms (5E)-5-(2-phenyl-4,6a-dihydro-3aH-thieno[3,4-d]oxazol-6-ylidene)pentanoic acid methyl ester (5E)-5-(2-phenyl-4,6a-dihydro-3aH-thieno[3,4-d]oxazol-6-ylidene)valeric acid methyl ester Methyl (5E)-5-(2-phenyl-3a,6a-dihydrothieno[3,4-d][1,3]oxazol-6(4H)-ylidene)pentanoate Methyl (5E)-5-(2-phenyl-4,6a-dihydro-3aH-thieno[3,4-d]oxazol-6-ylidene)pentanoate Methyl (5E)-5-(2-phenyl-4,6a-dihydro-3aH-thieno[3,4-d][1,3]oxazol-6-ylidene)pentanoate
Wiley ID 1420619