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[3-(3-Chlorobenzoyloxy)-2-hydroxy-4-phenylselenobutyl]-4-methyl-2H-benzothiazin-3(4H)-one

View entire compound with spectra: 2 MS (GC)

[3-(3-Chlorobenzoyloxy)-2-hydroxy-4-phenylselenobutyl]-4-methyl-2H-benzothiazin-3(4H)-one
SpectraBase Compound ID 2qFk1gRoo9T
InChI InChI=1S/C26H24ClNO4SSe/c1-28-20-12-5-6-13-22(20)33-23(25(28)30)15-21(29)24(34-19-10-3-2-4-11-19)16-32-26(31)17-8-7-9-18(27)14-17/h2-14,21,23-24,29H,15-16H2,1H3
InChIKey FFMVCPWPAKYJSH-UHFFFAOYSA-N
Mol Weight 560.97 g/mol
Molecular Formula C26H24ClNO4SSe
Exact Mass 561.027979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9ZdclUHCj6
Name [3-(3-Chlorobenzoyloxy)-2-hydroxy-4-phenylselenobutyl]-4-methyl-2H-benzothiazin-3(4H)-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24ClNO4SSe
InChI InChI=1S/C26H24ClNO4SSe/c1-28-20-12-5-6-13-22(20)33-23(25(28)30)15-21(29)24(34-19-10-3-2-4-11-19)16-32-26(31)17-8-7-9-18(27)14-17/h2-14,21,23-24,29H,15-16H2,1H3
InChIKey FFMVCPWPAKYJSH-UHFFFAOYSA-N
Molecular Weight 560.966 g/mol
SMILES OC(C([Se]c1ccccc1)COC(c1cc(Cl)ccc1)=O)CC1C(N(c2c(S1)cccc2)C)=O
SPLASH splash10-000i-0900000000-f4982818a236645ab6c2
Source of Spectrum KC-0-315-20
Synonyms [3-(3-Chlorobenzoyloxy)-2-hydroxy-4-phenylselenobutyl]-4-methyl-2H-benzothiazin-3(4H)-one isomer 2-[4-(3-Chlorobenzoyloxy)-2-hydroxy-3-phenylselenobutyl]-4-methyl-2H-benzo[1,4]thiazin-3(4H)-one isomer 2-hydroxy-3-(4-methyl-3-oxo-3,4-dihydro-2H-1,2-benzothiazin-2-yl)-1-[(phenylselanyl)methyl]propyl 3-chlorobenzoate 2-[4-(3-Chlorobenzoyloxy)-2-hydroxy-3-phenylselenobutyl]-4-methyl-2H-benzo[1,4]thiazin-3(4H)-one
Wiley ID 787294