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meso-1,6-Bis(1-hydroxy-1-(2-thienyl)ethyl)cyclohepta-1,3,5-triene
SpectraBase Compound ID DhA5xmcMTv9
InChI InChI=1S/C19H20O2S2/c1-18(20,16-9-5-11-22-16)14-7-3-4-8-15(13-14)19(2,21)17-10-6-12-23-17/h3-12,20-21H,13H2,1-2H3/t18-,19+
InChIKey HPFOLLQOYSGKJV-KDURUIRLSA-N
Mol Weight 344.49 g/mol
Molecular Formula C19H20O2S2
Exact Mass 344.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GkgDZSu9Sz
Name meso-1,6-Bis(1-hydroxy-1-(2-thienyl)ethyl)cyclohepta-1,3,5-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O2S2
InChI InChI=1S/C19H20O2S2/c1-18(20,16-9-5-11-22-16)14-7-3-4-8-15(13-14)19(2,21)17-10-6-12-23-17/h3-12,20-21H,13H2,1-2H3/t18-,19+
InChIKey HPFOLLQOYSGKJV-KDURUIRLSA-N
Molecular Weight 344.487 g/mol
SMILES O[C@@](C=1CC([C@](c2sccc2)(O)C)=CC=CC1)(c1sccc1)C
SPLASH splash10-0aor-2961000000-100daf4ff84137a81a14
Source of Spectrum AJ-73-1667-5
Synonyms meso-1,6-Bis{1-hydroxy-1-(2-thienyl)ethyl}cyclohepta-1,3,5-triene (1S)-1-{6-[(1R)-1-hydroxy-1-(2-thienyl)ethyl]-1,3,5-cycloheptatrien-1-yl}-1-(2-thienyl)ethanol
Wiley ID 775385