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(1SR,4RS,4ASR,11ARS,11BRS)-11A-HYDROXY-4,4A,7,8,11,11A-HEXAHYDRO-1H-1,4-METHANOAZEPINO-[2,1-A]-ISOINDOL-5(11BH)-ONE
SpectraBase Compound ID EkRev5a8873
InChI InChI=1S/C14H17NO2/c16-13-11-9-4-5-10(8-9)12(11)14(17)6-2-1-3-7-15(13)14/h1-2,4-5,9-12,17H,3,6-8H2/t9-,10+,11-,12+,14+/m0/s1
InChIKey XNPLEAGCPNKIAC-SVPLCASGSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8W4HH19fpAj
Name (1SR,4RS,4ASR,11ARS,11BRS)-11A-HYDROXY-4,4A,7,8,11,11A-HEXAHYDRO-1H-1,4-METHANOAZEPINO-[2,1-A]-ISOINDOL-5(11BH)-ONE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c16-13-11-9-4-5-10(8-9)12(11)14(17)6-2-1-3-7-15(13)14/h1-2,4-5,9-12,17H,3,6-8H2/t9-,10+,11-,12+,14+/m0/s1
InChIKey XNPLEAGCPNKIAC-SVPLCASGSA-N
Literature Reference Author A.GOMEZ-SANJUAN,N.SOTOMAYOR,E.LETE
Literature Reference Citation EUR.J.ORG.CHEM.,2013,6722(2013)
Literature Reference DOI 10.1002/ejoc.201300889
Molecular Weight 231.294 g/mol
Solvent CDCl3
Source File Reference UWBT18476