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2-[3-(4-isopropylphenyl)-2-propenoyl]phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID CHsQr99ltOX
InChI InChI=1S/C25H24O4S/c1-18(2)21-13-10-20(11-14-21)12-17-24(26)23-6-4-5-7-25(23)29-30(27,28)22-15-8-19(3)9-16-22/h4-18H,1-3H3/b17-12+
InChIKey NLCLMZIJCNNRQD-SFQUDFHCSA-N
Mol Weight 420.52 g/mol
Molecular Formula C25H24O4S
Exact Mass 420.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dCcObM6gJv
Name 2-[3-(4-isopropylphenyl)-2-propenoyl]phenyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24O4S
InChI InChI=1S/C25H24O4S/c1-18(2)21-13-10-20(11-14-21)12-17-24(26)23-6-4-5-7-25(23)29-30(27,28)22-15-8-19(3)9-16-22/h4-18H,1-3H3/b17-12+
InChIKey NLCLMZIJCNNRQD-SFQUDFHCSA-N
Molecular Weight 420.523 g/mol
SMILES c1ccc(c(OS(c2ccc(cc2)C)(=O)=O)c1)C(\C=C\c1ccc(cc1)C(C)C)=O
SPLASH splash10-014l-7790000000-bd62415ca8e05abbed5b
Synonyms 2-[(2E)-3-(4-isopropylphenyl)-2-propenoyl]phenyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid[2-[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]phenyl]ester 4-Methylbenzenesulfonic acid[2-[(E)-3-p-cumenylacryloyl]phenyl]ester Toluene-4-sulfonic acid 2-[3-(4-isopropyl-phenyl)-acryloyl]-phenyl ester [2-[(E)-3-(4-isopropylphenyl)prop-2-enoyl]phenyl]4-methylbenzenesulfonate [2-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [2-[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]phenyl] ester [2-[(E)-3-(4-isopropylphenyl)prop-2-enoyl]phenyl] 4-methylbenzenesulfonate [2-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl] 4-methylbenzenesulfonate
Wiley ID 1437866