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methyl (2E)-3-{4-[(mesitylsulfonyl)oxy]phenyl}-2-propenoate
SpectraBase Compound ID 70dIYoZhL0w
InChI InChI=1S/C19H20O5S/c1-13-11-14(2)19(15(3)12-13)25(21,22)24-17-8-5-16(6-9-17)7-10-18(20)23-4/h5-12H,1-4H3/b10-7+
InChIKey SEFFQZZUEGDMCU-JXMROGBWSA-N
Mol Weight 360.42 g/mol
Molecular Formula C19H20O5S
Exact Mass 360.103145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCDKZQgiqoZ
Name Methyl (2E)-3-{4-[(mesitylsulfonyl)oxy]phenyl}-2-propenoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.103144913 u
Formula C19H20O5S
InChI InChI=1S/C19H20O5S/c1-13-11-14(2)19(15(3)12-13)25(21,22)24-17-8-5-16(6-9-17)7-10-18(20)23-4/h5-12H,1-4H3/b10-7+
InChIKey SEFFQZZUEGDMCU-JXMROGBWSA-N
Molecular Weight 360.424 g/mol
SMILES COC(\C=C\C=1C=CC(OS(C=2C(=CC(C)=CC2C)C)(=O)=O)=CC1)=O