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(1SR,4RS,4ASR,11ARS,11BRS)-11A-ALLYL-4,4A,7,8,11,11A-HEXAHYDRO-1H-1,4-METHANOAZEPINO-[2,1-A]-ISOINDOL-5(11BH)-ONE
SpectraBase Compound ID J2TpKTMIZmh
InChI InChI=1S/C17H21NO/c1-2-8-17-9-4-3-5-10-18(17)16(19)14-12-6-7-13(11-12)15(14)17/h2-4,6-7,12-15H,1,5,8-11H2/t12-,13+,14-,15+,17+/m0/s1
InChIKey FZBUSMPXVBYJGP-LVNYTYFRSA-N
Mol Weight 255.36 g/mol
Molecular Formula C17H21NO
Exact Mass 255.162314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlBy7HTwx2G
Name (1SR,4RS,4ASR,11ARS,11BRS)-11A-ALLYL-4,4A,7,8,11,11A-HEXAHYDRO-1H-1,4-METHANOAZEPINO-[2,1-A]-ISOINDOL-5(11BH)-ONE
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21NO
InChI InChI=1S/C17H21NO/c1-2-8-17-9-4-3-5-10-18(17)16(19)14-12-6-7-13(11-12)15(14)17/h2-4,6-7,12-15H,1,5,8-11H2/t12-,13+,14-,15+,17+/m0/s1
InChIKey FZBUSMPXVBYJGP-LVNYTYFRSA-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 255.360 g/mol
Solvent CDCl3
Source File Reference UWBT18485