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(1-ALPHA,2-BETA,3-ALPHA,3A-BETA,4-BETA,5-BETA,7-BETA,7A-BETA)-1,3,3A,4,5,6,7,7A-OCTAHYDRO-5-PHENYLTHIO-4,7-METHANO-1,2,3-METHENO-2H-INDENE-2-CARBOXYLIC-ACID,ME

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(1-ALPHA,2-BETA,3-ALPHA,3A-BETA,4-BETA,5-BETA,7-BETA,7A-BETA)-1,3,3A,4,5,6,7,7A-OCTAHYDRO-5-PHENYLTHIO-4,7-METHANO-1,2,3-METHENO-2H-INDENE-2-CARBOXYLIC-ACID,ME
SpectraBase Compound ID 5k31wq49H9C
InChI InChI=1S/C19H20O2S/c1-21-18(20)19-15-13-9-7-11(14(13)16(19)17(15)19)12(8-9)22-10-5-3-2-4-6-10/h2-6,9,11-17H,7-8H2,1H3/t9-,11+,12+,13+,14-,15-,16+,17-,19-/m0/s1
InChIKey OEECZANOQUFPCL-ZFZLXEPOSA-N
Mol Weight 312.43 g/mol
Molecular Formula C19H20O2S
Exact Mass 312.118401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E6KQiK2uEnr
Name (1-ALPHA,2-BETA,3-ALPHA,3A-BETA,4-BETA,5-BETA,7-BETA,7A-BETA)-1,3,3A,4,5,6,7,7A-OCTAHYDRO-5-PHENYLTHIO-4,7-METHANO-1,2,3-METHENO-2H-INDENE-2-CARBOXYLIC-ACID,ME
CAS Registry Number 115408-26-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20O2S
InChI InChI=1S/C19H20O2S/c1-21-18(20)19-15-13-9-7-11(14(13)16(19)17(15)19)12(8-9)22-10-5-3-2-4-6-10/h2-6,9,11-17H,7-8H2,1H3/t9-,11+,12+,13+,14-,15-,16+,17-,19-/m0/s1
InChIKey OEECZANOQUFPCL-ZFZLXEPOSA-N
Literature Reference Author S.FREUND,H.HENNEBERGER,M.CHRISTL
Literature Reference Citation CHEM.BER.,121,1665(1988)
Literature Reference DOI 10.1002/cber.19881210920
Molecular Weight 312.427 g/mol
Solvent CDCl3
Source File Reference UWGB1657