| SpectraBase Compound ID | FGPHMnQthh7 |
|---|---|
| InChI | InChI=1S/C21H27FINO3/c1-15(24-14-16-6-4-7-18(23)11-16)10-17-12-19(25-2)21(20(13-17)26-3)27-9-5-8-22/h4,6-7,11-13,15,24H,5,8-10,14H2,1-3H3 |
| InChIKey | YBOYDWFKNKCNJC-UHFFFAOYSA-N |
| Mol Weight | 487.35 g/mol |
| Molecular Formula | C21H27FINO3 |
| Exact Mass | 487.101967 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AqP5AaBV2rv |
|---|---|
| Name | 3C-fp N-(3-Iodobenzyl) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 487.101966893 u |
| Formula | C21H27FINO3 |
| InChI | InChI=1S/C21H27FINO3/c1-15(24-14-16-6-4-7-18(23)11-16)10-17-12-19(25-2)21(20(13-17)26-3)27-9-5-8-22/h4,6-7,11-13,15,24H,5,8-10,14H2,1-3H3 |
| InChIKey | YBOYDWFKNKCNJC-UHFFFAOYSA-N |
| Molecular Weight | 487.354 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC(NCC=1C=C(C=CC1)I)C)OC)OCCCF |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.821837 |