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1H-2-Benzopyran-1-one, 3,4-dihydro-7-methyl-4-[2-[(4-methylphenyl)sulfonyl]ethylidene]-, (Z)-
SpectraBase Compound ID 4mLyBGdZo4y
InChI InChI=1S/C19H18O4S/c1-13-3-6-16(7-4-13)24(21,22)10-9-15-12-23-19(20)18-11-14(2)5-8-17(15)18/h3-9,11H,10,12H2,1-2H3/b15-9+
InChIKey DUMFRLKCEDVXFD-OQLLNIDSSA-N
Mol Weight 342.41 g/mol
Molecular Formula C19H18O4S
Exact Mass 342.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gxDyS4tmZI
Name 1H-2-Benzopyran-1-one, 3,4-dihydro-7-methyl-4-[2-[(4-methylphenyl)sulfonyl]ethylidene]-, (Z)-
Alternate Name(s) (4Z)-7-methyl-4-(2-p-toluenesulphonylethyliden-1-yl)-isochroman-1-one (4Z)-7-methyl-4-{2-[(4-methylphenyl)sulfonyl]ethylidene}-3,4-dihydro-1H-2-benzopyran-1-one
CAS Registry Number 130767-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O4S
InChI InChI=1S/C19H18O4S/c1-13-3-6-16(7-4-13)24(21,22)10-9-15-12-23-19(20)18-11-14(2)5-8-17(15)18/h3-9,11H,10,12H2,1-2H3/b15-9+
InChIKey DUMFRLKCEDVXFD-OQLLNIDSSA-N
Molecular Weight 342.409 g/mol
SMILES c1(S(C\C=C\2c3c(cc(cc3)C)C(OC2)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-000i-0900000000-b6e10db2d91d7d4cc815
Source of Spectrum F-46-4515-57
Wiley ID 1336494