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Phenyl 7-(2-hydroxyethyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate
SpectraBase Compound ID KBW9zq311Im
InChI InChI=1S/C17H17NO3/c19-11-10-13-12-14-6-4-5-9-16(13)18(14)17(20)21-15-7-2-1-3-8-15/h1-9,12,14,16,19H,10-11H2/t14-,16+/m0/s1
InChIKey KKGQENYJSAWXIQ-GOEBONIOSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44VrQBZo8m
Name Phenyl 7-(2-hydroxyethyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate
Appearance Yellowish oil
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Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c19-11-10-13-12-14-6-4-5-9-16(13)18(14)17(20)21-15-7-2-1-3-8-15/h1-9,12,14,16,19H,10-11H2/t14-,16+/m0/s1
InChIKey KKGQENYJSAWXIQ-GOEBONIOSA-N
Instrument Name Shimadzu GC??MS-QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901837
Molecular Weight 283.327 g/mol
Reported Formula C17H17NO3
SMILES OCCC1=C[C@]2(N([C@@]1(C=CC=C2)[H])C(=O)Oc1ccccc1)[H]
SPLASH splash10-0fvi-8930000000-7bf322dd991c414861a1
Source of Spectrum U1-2020-SM12-3bb
Thin-Layer Chromatography Rf = 0.53 (petroleum ether/ethyl acetate 15:1, 10:1, 5:1)
Wiley ID 1858967