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4,5,6,7-TETRAHYDRO-4-(4-PHENOXYBUT-1-YL)-4-BENZO-[B]-THIOPHENCARBOXYLIC-ACID
SpectraBase Compound ID GQ37WglC5Bl
InChI InChI=1S/C19H22O3S/c20-18(21)19(12-6-9-17-16(19)10-14-23-17)11-4-5-13-22-15-7-2-1-3-8-15/h1-3,7-8,10,14H,4-6,9,11-13H2,(H,20,21)
InChIKey WWURLZXBOSQWCE-UHFFFAOYSA-N
Mol Weight 330.44 g/mol
Molecular Formula C19H22O3S
Exact Mass 330.128966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACaGuGdqgqR
Name 4,5,6,7-TETRAHYDRO-4-(4-PHENOXYBUT-1-YL)-4-BENZO-[B]-THIOPHENCARBOXYLIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22O3S
InChI InChI=1S/C19H22O3S/c20-18(21)19(12-6-9-17-16(19)10-14-23-17)11-4-5-13-22-15-7-2-1-3-8-15/h1-3,7-8,10,14H,4-6,9,11-13H2,(H,20,21)
InChIKey WWURLZXBOSQWCE-UHFFFAOYSA-N
Literature Reference Author H.FROEHLICH,G.GMEINER,F.SAUTER
Literature Reference Citation J.PRAKT.CHEM.,332,995(1990)
Literature Reference DOI 10.1002/prac.19903320616
Molecular Weight 330.442 g/mol
Solvent CDCl3
Source File Reference UWED9493