SpectraBase Spectrum ID |
LWecIvFruf3 |
Name |
2-(2-Iodophenyl)pyrrolidine, N-acetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
315.012009074 u |
Formula |
C12H14INO |
InChI |
InChI=1S/C12H14INO/c1-9(15)14-8-4-7-12(14)10-5-2-3-6-11(10)13/h2-3,5-6,12H,4,7-8H2,1H3 |
InChIKey |
AZJAZLCAEJFARR-UHFFFAOYSA-N |
Molecular Weight |
315.154 g/mol |
SMILES |
C1(I)=C(C2CCCN2C(C)=O)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855505 |