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3-[7-(2,4-Dimethoxy-phenyl)-2,3,6,7-tetrahydro-[1,4]thiazepin-5-yl]-4-hydroxy-6-methyl-pyran-2-one
SpectraBase Compound ID 9qa3UfC9Qbi
InChI InChI=1S/C19H21NO5S/c1-11-8-15(21)18(19(22)25-11)14-10-17(26-7-6-20-14)13-5-4-12(23-2)9-16(13)24-3/h4-5,8-9,17,21H,6-7,10H2,1-3H3
InChIKey NHFIAAAMCYVRIW-UHFFFAOYSA-N
Mol Weight 375.44 g/mol
Molecular Formula C19H21NO5S
Exact Mass 375.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7p0TeU0c2xP
Name 3-[7-(2,4-Dimethoxy-phenyl)-2,3,6,7-tetrahydro-[1,4]thiazepin-5-yl]-4-hydroxy-6-methyl-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO5S
InChI InChI=1S/C19H21NO5S/c1-11-8-15(21)18(19(22)25-11)14-10-17(26-7-6-20-14)13-5-4-12(23-2)9-16(13)24-3/h4-5,8-9,17,21H,6-7,10H2,1-3H3
InChIKey NHFIAAAMCYVRIW-UHFFFAOYSA-N
Molecular Weight 375.439 g/mol
SMILES OC1=C(C(OC(=C1)C)=O)C=1CC(SCCN1)c1c(cc(cc1)OC)OC
SPLASH splash10-0udi-3911000000-b25615879982dfce6280
Synonyms 3-[7-(2,4-Dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methyl-2H-pyran-2-one
Wiley ID 1438570