For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2H-1,3-thiazine-6-carboxamide, N-[4-(chlorodifluoromethoxy)phenyl]tetrahydro-4-oxo-3-(2-phenylethyl)-2-
SpectraBase Compound ID AUyx8BNdtcH
InChI InChI=1S/C26H22ClF2N3O3S/c27-26(28,29)35-21-13-11-20(12-14-21)30-24(34)22-17-23(33)32(16-15-18-7-3-1-4-8-18)25(36-22)31-19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,30,34)/b31-25+
InChIKey JOGJPKQITVFGCX-QCKNELIISA-N
Mol Weight 529.99 g/mol
Molecular Formula C26H22ClF2N3O3S
Exact Mass 529.103847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5S5kq6hzT4n
Name 4-Oxo-3-phenethyl-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 C26H22ClF2N3O3S
InChI InChI=1S/C26H22ClF2N3O3S/c27-26(28,29)35-21-13-11-20(12-14-21)30-24(34)22-17-23(33)32(16-15-18-7-3-1-4-8-18)25(36-22)31-19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,30,34)/b31-25+
InChIKey JOGJPKQITVFGCX-QCKNELIISA-N
Molecular Weight 529.990 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1ccccc1)CCc1ccccc1)=O)=O)c1ccc(OC(F)(Cl)F)cc1
SPLASH splash10-0a4i-8890100000-1dd291b7e47eb374c05f
Synonyms (2E)-N-{4-[chloro(difluoro)methoxy]phenyl}-4-oxo-3-(2-phenylethyl)-2-(phenylimino)tetrahydro-2H-1,3-thiazine-6-carboxamide N-{4-[chloro(difluoro)methoxy]phenyl}-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-1,3-thiazinane-6-carboxamide
Wiley ID 1462192