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(3R,4S)-1-[N'-(3-Acetyl-2-oxo-3,4-dihydro-2H-benzopyran-4-yl)methyleneamino]pyrrolidine
SpectraBase Compound ID 8VFFZ3QGMGZ
InChI InChI=1S/C16H18N2O3/c1-11(19)15-13(10-17-18-8-4-5-9-18)12-6-2-3-7-14(12)21-16(15)20/h2-3,6-7,10,13,15H,4-5,8-9H2,1H3/b17-10+/t13-,15+/m1/s1
InChIKey PHJJWFJSQVIYAH-HSSLNXBLSA-N
Mol Weight 286.33 g/mol
Molecular Formula C16H18N2O3
Exact Mass 286.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQjcrMjvtuJ
Name (3R,4S)-1-[N'-(3-Acetyl-2-oxo-3,4-dihydro-2H-benzopyran-4-yl)methyleneamino]pyrrolidine
Alternate Name(s) (3R,4S)-3-acetyl-4-[(E)-(1-pyrrolidinylimino)methyl]-3,4-dihydro-2H-chromen-2-one 1-[N'-(3-Acetyl-2-oxobenzopyran-4-yl)methyleneamino]pyrrolidine
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Formula C16H18N2O3
InChI InChI=1S/C16H18N2O3/c1-11(19)15-13(10-17-18-8-4-5-9-18)12-6-2-3-7-14(12)21-16(15)20/h2-3,6-7,10,13,15H,4-5,8-9H2,1H3/b17-10+/t13-,15+/m1/s1
InChIKey PHJJWFJSQVIYAH-HSSLNXBLSA-N
Molecular Weight 286.331 g/mol
SMILES C1([C@]([C@](\C=N\N2CCCC2)(c2c(O1)cccc2)[H])(C(=O)C)[H])=O
SPLASH splash10-00fr-9540000000-d1ede8a452da6c6d0442
Source of Spectrum KC-61-4122-12
Wiley ID 1628792