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Chlorzoxazone HY3AC @P710

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Chlorzoxazone HY3AC @P710
SpectraBase Compound ID 2FhtljAgTRE
InChI InChI=1S/C12H12ClNO4/c1-7(15)14(8(2)16)11-6-10(13)4-5-12(11)18-9(3)17/h4-6H,1-3H3
InChIKey IHHKPCPQQFZFLK-UHFFFAOYSA-N
Mol Weight 269.68 g/mol
Molecular Formula C12H12ClNO4
Exact Mass 269.045486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CSiOsx3N3qu
Name Chlorzoxazone HY3AC @P710
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.045485566 u
Formula C12H12ClNO4
InChI InChI=1S/C12H12ClNO4/c1-7(15)14(8(2)16)11-6-10(13)4-5-12(11)18-9(3)17/h4-6H,1-3H3
InChIKey IHHKPCPQQFZFLK-UHFFFAOYSA-N
Molecular Weight 269.684 g/mol
SMILES C=1C=C(C(N(C(C)=O)C(C)=O)=CC1Cl)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941136