| SpectraBase Spectrum ID |
QNFualkq9O |
| Name |
2-Iodo-6-methoxymethyl-N,N-diethylbenzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.038223822 u |
| Formula |
C13H18INO2 |
| InChI |
InChI=1S/C13H18INO2/c1-4-15(5-2)13(16)12-10(9-17-3)7-6-8-11(12)14/h6-8H,4-5,9H2,1-3H3 |
| InChIKey |
OVOGUZUNNYOAMY-UHFFFAOYSA-N |
| Molecular Weight |
347.196 g/mol |
| SMILES |
C=1(C(N(CC)CC)=O)C(I)=CC=CC1COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943182 |
