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 Google Search
Mol Weight	524.03 g/mol
Molecular Formula	C25H28ClF2N3O3S
Exact Mass	523.150797 g/mol

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SpectraBase Spectrum ID	DAP9ek62a4j
Name	2H-1,3-thiazine-6-carboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-3-heptyltetrahydro-4-oxo-2-(phenylimino)-, (2Z)-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	523.150796971 u
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
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14480
Solvent	DMSO-d6
Source	Vendor ID: NMR/10215678; Lab Info: PE; Lab Number: NMR/9296055