SpectraBase Spectrum ID |
KsIEFqcONTQ |
Name |
Acetamide, N-allyl-N-methyl-2-(4-nitrophenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
234.100442316 u |
Formula |
C12H14N2O3 |
InChI |
InChI=1S/C12H14N2O3/c1-3-8-13(2)12(15)9-10-4-6-11(7-5-10)14(16)17/h3-7H,1,8-9H2,2H3 |
InChIKey |
DRCXLWBZZQEZMC-UHFFFAOYSA-N |
Molecular Weight |
234.255 g/mol |
SMILES |
C(N(C)CC=C)(=O)CC=1C=CC(=CC1)N(=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898859 |