4-{[(1E,5E)-(S)-3-hydroxy-6-phenylhexa-1,5-dienyl]phenyl] - methanesulfonate - Optional[13C NMR] - Chemical Shifts

SpectraBase Compound ID	7VMxSNdUGuX
InChI	InChI=1S/C19H20O4S/c1-24(21,22)23-19-14-11-17(12-15-19)10-13-18(20)9-5-8-16-6-3-2-4-7-16/h2-8,10-15,18,20H,9H2,1H3/b8-5+,13-10+/t18-/m0/s1
InChIKey	NWALEGNFPIGYPM-HNSORUFLSA-N Google Search
Mol Weight	344.43 g/mol
Molecular Formula	C19H20O4S
Exact Mass	344.10823 g/mol

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SpectraBase Spectrum ID	8MJiRdk2va6
Name	4-{[(1E,5E)-(S)-3-hydroxy-6-phenylhexa-1,5-dienyl]phenyl] - methanesulfonate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	344.108230294 u
Formula	C19H20O4S
InChI	InChI=1S/C19H20O4S/c1-24(21,22)23-19-14-11-17(12-15-19)10-13-18(20)9-5-8-16-6-3-2-4-7-16/h2-8,10-15,18,20H,9H2,1H3/b8-5+,13-10+/t18-/m0/s1
InChIKey	NWALEGNFPIGYPM-HNSORUFLSA-N
Molecular Weight	344.425 g/mol
SMILES	C1(OS(=O)(=O)C)=CC=C(\C=C\[C@@](O)(C\C=C\C2=CC=CC=C2)[H])C=C1