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3-Heptyl-4-oxo-2-phenylimino-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide
SpectraBase Compound ID 2zxIhFHR7p4
InChI InChI=1S/C25H28ClF2N3O3S/c1-2-3-4-5-9-16-31-22(32)17-21(35-24(31)30-18-10-7-6-8-11-18)23(33)29-19-12-14-20(15-13-19)34-25(26,27)28/h6-8,10-15,21H,2-5,9,16-17H2,1H3,(H,29,33)/b30-24-
InChIKey UPTQVTYMJOKEON-KRUMMXJUSA-N
Mol Weight 524.03 g/mol
Molecular Formula C25H28ClF2N3O3S
Exact Mass 523.150797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rQgUiI1iV4
Name 3-Heptyl-4-oxo-2-phenylimino-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28ClF2N3O3S
InChI InChI=1S/C25H28ClF2N3O3S/c1-2-3-4-5-9-16-31-22(32)17-21(35-24(31)30-18-10-7-6-8-11-18)23(33)29-19-12-14-20(15-13-19)34-25(26,27)28/h6-8,10-15,21H,2-5,9,16-17H2,1H3,(H,29,33)/b30-24-
InChIKey UPTQVTYMJOKEON-KRUMMXJUSA-N
Molecular Weight 524.027 g/mol
SMILES N(C(C1CC(N(\C(S1)=N\c1ccccc1)CCCCCCC)=O)=O)c1ccc(OC(F)(F)Cl)cc1
SPLASH splash10-0a4i-9640000000-a5c84a90c46e1b6462bd
Synonyms (2Z)-N-{4-[chloro(difluoro)methoxy]phenyl}-3-heptyl-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazine-6-carboxamide N-{4-[chloro(difluoro)methoxy]phenyl}-3-heptyl-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
Wiley ID 1462495