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(3RS,3ARS,4SR,7RS,7ASR)-3-ALLYL-2-(BUT-3-EN-1-YL)-3-HYDROXY-2,3,3A,4,7,7A-HEXAHYDRO-1H-4,7-METHANOISOINDOL-1-ONE
SpectraBase Compound ID CESgH2GNTe8
InChI InChI=1S/C16H21NO2/c1-3-5-9-17-15(18)13-11-6-7-12(10-11)14(13)16(17,19)8-4-2/h3-4,6-7,11-14,19H,1-2,5,8-10H2/t11-,12+,13-,14+,16+/m0/s1
InChIKey KRPAAQXEPMPTIX-OJKRMQCYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OImktb2Lnx
Name (3RS,3ARS,4SR,7RS,7ASR)-3-ALLYL-2-(BUT-3-EN-1-YL)-3-HYDROXY-2,3,3A,4,7,7A-HEXAHYDRO-1H-4,7-METHANOISOINDOL-1-ONE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-3-5-9-17-15(18)13-11-6-7-12(10-11)14(13)16(17,19)8-4-2/h3-4,6-7,11-14,19H,1-2,5,8-10H2/t11-,12+,13-,14+,16+/m0/s1
InChIKey KRPAAQXEPMPTIX-OJKRMQCYSA-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 259.348 g/mol
Solvent CDCl3
Source File Reference UWBT18474