SpectraBase Spectrum ID |
6fx2ltmgYSb |
Name |
Acetamide, N-[2-acetoxy-3-(2-cyanophenyloxy)propyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
276.111006999 u |
Formula |
C14H16N2O4 |
InChI |
InChI=1S/C14H16N2O4/c1-10(17)16-8-13(20-11(2)18)9-19-14-6-4-3-5-12(14)7-15/h3-6,13H,8-9H2,1-2H3,(H,16,17) |
InChIKey |
MOEZTTXOWMBABA-UHFFFAOYSA-N |
SMILES |
C(=O)(C)NCC(COC1=CC=CC=C1C#N)OC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810004 |