| SpectraBase Spectrum ID |
4nS0jwO4mTT |
| Name |
N-[4'-(1""""-Piperodino)but-2'-ynyl]-2-iodoacetanilide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.069858303 u |
| Formula |
C17H21IN2O |
| InChI |
InChI=1S/C17H21IN2O/c1-15(21)20(17-10-4-3-9-16(17)18)14-8-7-13-19-11-5-2-6-12-19/h3-4,9-10H,2,5-6,11-14H2,1H3 |
| InChIKey |
GWBGMKFMFRAOHZ-UHFFFAOYSA-N |
| Molecular Weight |
396.272 g/mol |
| SMILES |
C=1(N(C(=O)C)CC#CCN2CCCCC2)C(I)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894321 |
![N-[4'-(1""""-Piperodino)but-2'-ynyl]-2-iodoacetanilide](/api/spectrum/4nS0jwO4mTT/structure.png?h=300&w=458 "N-[4'-(1\"\"\"\"-Piperodino)but-2'-ynyl]-2-iodoacetanilide")
