| SpectraBase Spectrum ID |
KxXCMevNx6c |
| Name |
N-boc 2-Fluoro-4-iodoaniline, N-acetyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.008066507 u |
| Formula |
C13H15FINO3 |
| InChI |
InChI=1S/C13H15FINO3/c1-8(17)16(12(18)19-13(2,3)4)11-6-5-9(15)7-10(11)14/h5-7H,1-4H3 |
| InChIKey |
WGPLWOGBDDNIIP-UHFFFAOYSA-N |
| Molecular Weight |
379.170 g/mol |
| SMILES |
C1(N(C(=O)OC(C)(C)C)C(C)=O)=CC=C(I)C=C1F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817532 |
