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Methyl 2-[isobutyl(p-tolylsulfonyl)carbamoyl]-3-phenyl-prop-2-enoate
SpectraBase Compound ID LVvIpRQ93QC
InChI InChI=1S/C22H25NO5S/c1-16(2)15-23(29(26,27)19-12-10-17(3)11-13-19)21(24)20(22(25)28-4)14-18-8-6-5-7-9-18/h5-14,16H,15H2,1-4H3
InChIKey WALPIVLGOCBOST-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H25NO5S
Exact Mass 415.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IA5TQadXD7p
Name Methyl 2-[isobutyl(p-tolylsulfonyl)carbamoyl]-3-phenyl-prop-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO5S
InChI InChI=1S/C22H25NO5S/c1-16(2)15-23(29(26,27)19-12-10-17(3)11-13-19)21(24)20(22(25)28-4)14-18-8-6-5-7-9-18/h5-14,16H,15H2,1-4H3
InChIKey WALPIVLGOCBOST-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c00952
Molecular Weight 415.504 g/mol
SMILES C(C(C(=O)OC)=Cc1ccccc1)(=O)N(CC(C)C)S(c1ccc(C)cc1)(=O)=O
SPLASH splash10-007c-2920000000-5ed919954ee2d0a20b0f
Source of Spectrum A1-23-SM181-8
Wiley ID 1870267