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(5RS)-5-Acetoxy-3-[(2SR)-N-benzylpyrrolidin-2-yl]-6,7-dihydro-2(5H)-oxepinone
SpectraBase Compound ID D1rVCDsI3Sf
InChI InChI=1S/C19H23NO4/c1-14(21)24-16-9-11-23-19(22)17(12-16)18-8-5-10-20(18)13-15-6-3-2-4-7-15/h2-4,6-7,12,16,18H,5,8-11,13H2,1H3/t16-,18+/m0/s1
InChIKey WROXEYIAFFBFQW-FUHWJXTLSA-N
Mol Weight 329.4 g/mol
Molecular Formula C19H23NO4
Exact Mass 329.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jv9NEfTwa9w
Name (5RS)-5-Acetoxy-3-[(2SR)-N-benzylpyrrolidin-2-yl]-6,7-dihydro-2(5H)-oxepinone
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Formula C19H23NO4
InChI InChI=1S/C19H23NO4/c1-14(21)24-16-9-11-23-19(22)17(12-16)18-8-5-10-20(18)13-15-6-3-2-4-7-15/h2-4,6-7,12,16,18H,5,8-11,13H2,1H3/t16-,18+/m0/s1
InChIKey WROXEYIAFFBFQW-FUHWJXTLSA-N
Molecular Weight 329.396 g/mol
SMILES C=1([C@@]2(N(Cc3ccccc3)CCC2)[H])C(OCC[C@@](C1)(OC(=O)C)[H])=O
SPLASH splash10-0006-9230000000-cad27a0167cba8aa7bb6
Source of Spectrum K1-2004-4228-51
Synonyms (4S)-6-[(2R)-1-benzylpyrrolidinyl]-7-oxo-2,3,4,7-tetrahydro-4-oxepinyl acetate Acetic acid[(4S)-6-[(2R)-1-benzylpyrrolidin-2-yl]-7-keto-3,4-dihydro-2H-oxepin-4-yl]ester Acetic acid[(4S)-7-oxo-6-[(2R)-1-(phenylmethyl)-2-pyrrolidinyl]-3,4-dihydro-2H-oxepin-4-yl]ester [(4S)-6-[(2R)-1-benzylpyrrolidin-2-yl]-7-oxo-3,4-dihydro-2H-oxepin-4-yl]acetate [(4S)-7-oxidanylidene-6-[(2R)-1-(phenylmethyl)pyrrolidin-2-yl]-3,4-dihydro-2H-oxepin-4-yl]ethanoate Acetic acid [(4S)-7-oxo-6-[(2R)-1-(phenylmethyl)-2-pyrrolidinyl]-3,4-dihydro-2H-oxepin-4-yl] ester [(4S)-6-[(2R)-1-benzylpyrrolidin-2-yl]-7-oxo-3,4-dihydro-2H-oxepin-4-yl] acetate [(4S)-7-oxidanylidene-6-[(2R)-1-(phenylmethyl)pyrrolidin-2-yl]-3,4-dihydro-2H-oxepin-4-yl] ethanoate
Wiley ID 1561673