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Methyl (E)-(2-(2-oxo-2H-chromen-4-yl)vinyl)-(S)-prolinate
SpectraBase Compound ID JljinMZIbLK
InChI InChI=1S/C17H17NO4/c1-21-17(20)14-6-4-9-18(14)10-8-12-11-16(19)22-15-7-3-2-5-13(12)15/h2-3,5,7-8,10-11,14H,4,6,9H2,1H3/b10-8+/t14-/m0/s1
InChIKey QDGHUFICOAFDSU-PLWJUESGSA-N
Mol Weight 299.33 g/mol
Molecular Formula C17H17NO4
Exact Mass 299.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BE1i4VgquMl
Name Methyl (E)-(2-(2-oxo-2H-chromen-4-yl)vinyl)-(S)-prolinate
Appearance Orange solid
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Exact Mass 299.115758027 u
Formula C17H17NO4
InChI InChI=1S/C17H17NO4/c1-21-17(20)14-6-4-9-18(14)10-8-12-11-16(19)22-15-7-3-2-5-13(12)15/h2-3,5,7-8,10-11,14H,4,6,9H2,1H3/b10-8+/t14-/m0/s1
InChIKey QDGHUFICOAFDSU-PLWJUESGSA-N
Instrument Name Finnigan MAR
Ionization Type EI
Literature Reference DOI 10.1002/chem.201704912
Quality 85
SMILES C1(=O)OC2=CC=CC=C2C(=C1)\C=C\N1[C@@](CCC1)(C(=O)OC)[H]
SPLASH splash10-0006-0190000000-c0fafeff7b6a8300b99e
Source of Spectrum QE-24-SM13-6f (DOI: 10.1002/chem.201704912)
Thin-Layer Chromatography 0.11 (n-hexane/ethyl acetate, 1:1)
Wiley ID 1900301