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1'-Cyclobutyl-2'-oxo-2'-phenylethyl 4-methylbenzene-1-sulfonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1'-Cyclobutyl-2'-oxo-2'-phenylethyl 4-methylbenzene-1-sulfonate
SpectraBase Compound ID 3pGXcEXyNaZ
InChI InChI=1S/C19H20O4S/c1-14-10-12-17(13-11-14)24(21,22)23-19(16-8-5-9-16)18(20)15-6-3-2-4-7-15/h2-4,6-7,10-13,16,19H,5,8-9H2,1H3
InChIKey VPSFPMAAXIQHPV-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C19H20O4S
Exact Mass 344.10823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JsokcSgid1P
Name 1'-Cyclobutyl-2'-oxo-2'-phenylethyl 4-methylbenzene-1-sulfonate
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/c1-14-10-12-17(13-11-14)24(21,22)23-19(16-8-5-9-16)18(20)15-6-3-2-4-7-15/h2-4,6-7,10-13,16,19H,5,8-9H2,1H3
InChIKey VPSFPMAAXIQHPV-UHFFFAOYSA-N
Molecular Weight 344.425 g/mol
SMILES C(OS(C1=CC=C(C=C1)C)(=O)=O)(C(=O)C1=CC=CC=C1)C1CCC1