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4-Hydroxy-3-[2-(2-methoxy-phenyl)-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl]-6-methyl-pyran-2-one
SpectraBase Compound ID AoOFxcODmRF
InChI InChI=1S/C22H19NO4S/c1-13-11-17(24)21(22(25)27-13)16-12-20(14-7-3-5-9-18(14)26-2)28-19-10-6-4-8-15(19)23-16/h3-11,20,24H,12H2,1-2H3
InChIKey FGEQECFKZHTSEY-UHFFFAOYSA-N
Mol Weight 393.46 g/mol
Molecular Formula C22H19NO4S
Exact Mass 393.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4p2goO98mWk
Name 4-Hydroxy-3-[2-(2-methoxy-phenyl)-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl]-6-methyl-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO4S
InChI InChI=1S/C22H19NO4S/c1-13-11-17(24)21(22(25)27-13)16-12-20(14-7-3-5-9-18(14)26-2)28-19-10-6-4-8-15(19)23-16/h3-11,20,24H,12H2,1-2H3
InChIKey FGEQECFKZHTSEY-UHFFFAOYSA-N
Molecular Weight 393.457 g/mol
SMILES OC1=C(C(OC(=C1)C)=O)C1=Nc2c(SC(C1)c1ccccc1OC)cccc2
SPLASH splash10-0abc-7970000000-d0d00c44f9c7571a1fa5
Synonyms 4-Hydroxy-3-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2H-pyran-2-one
Wiley ID 1453281