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4H-1-Benzopyran-4-one, 2,3-dihydro-3-methyl-3-[(methylsulfonyl)oxy]-2-phenyl-, trans-
SpectraBase Compound ID 9SOSG55F66A
InChI InChI=1S/C17H16O5S/c1-17(22-23(2,19)20)15(18)13-10-6-7-11-14(13)21-16(17)12-8-4-3-5-9-12/h3-11,16H,1-2H3/t16-,17+/m0/s1
InChIKey ODCHNFZIYLPXRC-DLBZAZTESA-N
Mol Weight 332.37 g/mol
Molecular Formula C17H16O5S
Exact Mass 332.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iJ02AJBR1k
Name 4H-1-Benzopyran-4-one, 2,3-dihydro-3-methyl-3-[(methylsulfonyl)oxy]-2-phenyl-, trans-
CAS Registry Number 116703-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O5S
InChI InChI=1S/C17H16O5S/c1-17(22-23(2,19)20)15(18)13-10-6-7-11-14(13)21-16(17)12-8-4-3-5-9-12/h3-11,16H,1-2H3/t16-,17+/m0/s1
InChIKey ODCHNFZIYLPXRC-DLBZAZTESA-N
Molecular Weight 332.370 g/mol
SMILES [C@@]1(C(c2ccccc2O[C@]1(c1ccccc1)[H])=O)(OS(=O)(=O)C)C
SPLASH splash10-0ugr-2970000000-cdd186bcb0c051f99a37
Source of Spectrum Y-25-345-1
Synonyms (2S,3S)-3-methyl-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-3-yl methanesulfonate 2,3-Dihydro-t-3-mesyloxy-c-3-methyl-r-2-phenyl-4H-1-benzopyran-4-one
Wiley ID 1329242