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(1-BETA,2-ALPHA,2A-BETA,2B-BETA,3-BETA,4-ALPHA,5A-BETA,6-ALPHA,6A-BETA)-DECAHYDRO-3-PHENYLTHIO-2,4,6-METHENOCYCLOBUTA-[A]-PENTALENE-1-CARBOXYLIC-ACID,METHYLEST
SpectraBase Compound ID JKWUefKsUDj
InChI InChI=1S/C19H20O2S/c1-21-19(20)17-14-11-9-7-10-12(11)15(17)16(14)13(9)18(10)22-8-5-3-2-4-6-8/h2-6,9-18H,7H2,1H3/t9-,10+,11-,12+,13-,14+,15-,16-,17-,18-/m1/s1
InChIKey SRYAEGKQTRCDST-REIAGJDQSA-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 HWN1JnfHBSn
Name (1-BETA,2-ALPHA,2A-BETA,2B-BETA,3-BETA,4-ALPHA,5A-BETA,6-ALPHA,6A-BETA)-DECAHYDRO-3-PHENYLTHIO-2,4,6-METHENOCYCLOBUTA-[A]-PENTALENE-1-CARBOXYLIC-ACID,METHYLEST
CAS Registry Number 115408-27-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20O2S
InChI InChI=1S/C19H20O2S/c1-21-19(20)17-14-11-9-7-10-12(11)15(17)16(14)13(9)18(10)22-8-5-3-2-4-6-8/h2-6,9-18H,7H2,1H3/t9-,10+,11-,12+,13-,14+,15-,16-,17-,18-/m1/s1
InChIKey SRYAEGKQTRCDST-REIAGJDQSA-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 UWGB1655