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(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid, tms derivative

View entire compound with spectra: 1 NMR

(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid, tms derivative
SpectraBase Compound ID IOJf39vmgEJ
InChI InChI=1S/C13H16ClNO4Si/c1-20(2,3)19-13(17)7-15-10-6-9(14)4-5-11(10)18-8-12(15)16/h4-6H,7-8H2,1-3H3
InChIKey KAACIHNHAGOALN-UHFFFAOYSA-N
Mol Weight 313.81 g/mol
Molecular Formula C13H16ClNO4Si
Exact Mass 313.053712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9iiBcIgJ38
Name (6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.053712230 u
Formula C13H16ClNO4Si
InChI InChI=1S/C13H16ClNO4Si/c1-20(2,3)19-13(17)7-15-10-6-9(14)4-5-11(10)18-8-12(15)16/h4-6H,7-8H2,1-3H3
InChIKey KAACIHNHAGOALN-UHFFFAOYSA-N
Molecular Weight 313.812 g/mol
SMILES C1(Cl)=CC2=C(C=C1)OCC(N2CC(=O)O[Si](C)(C)C)=O