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3-(2-Adamantan-1-yl-ethyl)-2-(4-chloro-phenylimino)-4-oxo-[1,3]thiazinane-6-carboxylic acid (2-chloro-phenyl)-amide
SpectraBase Compound ID 1s48pIN0Lyj
InChI InChI=1S/C29H31Cl2N3O2S/c30-21-5-7-22(8-6-21)32-28-34(10-9-29-15-18-11-19(16-29)13-20(12-18)17-29)26(35)14-25(37-28)27(36)33-24-4-2-1-3-23(24)31/h1-8,18-20,25H,9-17H2,(H,33,36)/b32-28+/t18-,19+,20-,25?,29+
InChIKey ZFRPTFCGPZKBNQ-FAKAVRLTSA-N
Mol Weight 556.55 g/mol
Molecular Formula C29H31Cl2N3O2S
Exact Mass 555.151404 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B8dJwYempbX
Name 2H-1,3-thiazine-6-carboxamide, N-(2-chlorophenyl)-2-[(4-chlorophenyl)imino]tetrahydro-4-oxo-3-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 555.151403822 u
Formula C29H31Cl2N3O2S
InChI InChI=1S/C29H31Cl2N3O2S/c30-21-5-7-22(8-6-21)32-28-34(10-9-29-15-18-11-19(16-29)13-20(12-18)17-29)26(35)14-25(37-28)27(36)33-24-4-2-1-3-23(24)31/h1-8,18-20,25H,9-17H2,(H,33,36)/b32-28+/t18-,19+,20-,25?,29+
InChIKey ZFRPTFCGPZKBNQ-FAKAVRLTSA-N
Molecular Weight 556.552 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17818
Solvent DMSO-d6
Source Vendor ID: NMR/11222675; Lab Info: PE; Lab Number: PE-0110042