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3-(6-Methyl-2H-1,4-benzoxazin-3(4H)-one-4-yl)-propionitrile
SpectraBase Compound ID 4VMO6v96v0G
InChI InChI=1S/C12H12N2O2/c1-9-3-4-11-10(7-9)14(6-2-5-13)12(15)8-16-11/h3-4,7H,2,6,8H2,1H3
InChIKey SZEGFLHUNYLAOJ-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C12H12N2O2
Exact Mass 216.089878 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID ESMZpGUDICn
Name 3-(6-Methyl-2H-1,4-benzoxazin-3(4H)-one-4-yl)-propionitrile
Source of Sample Sigma-Aldrich Company LLC
Catalog Number 54890-1
Lot Number 16328CO
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 351003-19-5
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2
InChI InChI=1S/C12H12N2O2/c1-9-3-4-11-10(7-9)14(6-2-5-13)12(15)8-16-11/h3-4,7H,2,6,8H2,1H3
InChIKey SZEGFLHUNYLAOJ-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES c12cc(ccc1OCC(N2CCC#N)=O)C
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat