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Metaxalone, N-acetyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Metaxalone, N-acetyl-
SpectraBase Compound ID CQueztZTR5s
InChI InChI=1S/C14H17NO4/c1-9-4-10(2)6-12(5-9)18-8-13-7-15(11(3)16)14(17)19-13/h4-6,13H,7-8H2,1-3H3
InChIKey CTJHEXPNQYPIPU-UHFFFAOYSA-N
Mol Weight 263.29 g/mol
Molecular Formula C14H17NO4
Exact Mass 263.115758 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HXMCIFpOcwK
Name Metaxalone, N-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.115758027 u
Formula C14H17NO4
InChI InChI=1S/C14H17NO4/c1-9-4-10(2)6-12(5-9)18-8-13-7-15(11(3)16)14(17)19-13/h4-6,13H,7-8H2,1-3H3
InChIKey CTJHEXPNQYPIPU-UHFFFAOYSA-N
Molecular Weight 263.293 g/mol
SMILES CC1=CC(=CC(=C1)OCC1CN(C(C)=O)C(O1)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905265