| SpectraBase Spectrum ID |
HuRle4y7eIJ |
| Name |
3-(6-Methyl-2H-1,4-benzoxazin-3(4H)-one-4-yl)-propionitrile |
| Source of Sample |
Sigma-Aldrich Company LLC |
| Catalog Number |
548901 |
| Lot Number |
16328CO |
| CAS Registry Number |
351003-19-5 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 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 |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
699 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
c12cc(ccc1OCC(N2CCC#N)=O)C |
| Scans Performed |
1856 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
