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Phenyl 7-(3-hydroxypropyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate
SpectraBase Compound ID HThdpQBaNul
InChI InChI=1S/C18H19NO3/c20-12-6-7-14-13-15-8-4-5-11-17(14)19(15)18(21)22-16-9-2-1-3-10-16/h1-5,8-11,13,15,17,20H,6-7,12H2/t15-,17+/m0/s1
InChIKey RXMQXTRFFWPJKD-DOTOQJQBSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Exzcn1BJ56J
Name Phenyl 7-(3-hydroxypropyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate
Appearance Yellowish oil
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Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c20-12-6-7-14-13-15-8-4-5-11-17(14)19(15)18(21)22-16-9-2-1-3-10-16/h1-5,8-11,13,15,17,20H,6-7,12H2/t15-,17+/m0/s1
InChIKey RXMQXTRFFWPJKD-DOTOQJQBSA-N
Instrument Name Shimadzu GC??MS-QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901837
Molecular Weight 297.354 g/mol
Reported Formula C18H19NO3
SMILES OCCCC1=C[C@]2(N([C@@]1(C=CC=C2)[H])C(=O)Oc1ccccc1)[H]
SPLASH splash10-00ou-9430000000-0bf52ce6cc4100a92ea4
Source of Spectrum U1-2020-SM13-3bc
Thin-Layer Chromatography Rf = 0.55 (petroleum ether/ethyl acetate 15:1, 10:1, 5:1)
Wiley ID 1858968