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3-(6-Methyl-2H-1,4-benzoxazin-3(4H)-one-4-yl)-propionitrile

View entire compound with spectra: 2 FTIR, and 1 Raman

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 A1vyDOBproL
Name 3-(6-Methyl-2H-1,4-benzoxazin-3(4H)-one-4-yl)-propionitrile
Source of Sample Aldrich
Catalog Number 548901
CAS Registry Number 351003-19-5
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 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
Purity 97%
Wiley ID SIAL_ATR-IR_021258