| SpectraBase Compound ID | 3CsPadL4tbQ |
|---|---|
| InChI | InChI=1S/C14H13I2N/c15-13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(16)8-12/h1-8,17H,9-10H2 |
| InChIKey | ZOLXAOHWDZSBPD-UHFFFAOYSA-N |
| Mol Weight | 449.07 g/mol |
| Molecular Formula | C14H13I2N |
| Exact Mass | 448.913739 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GhMimsQxvz5 |
|---|---|
| Name | N,N-bis(3-Iodobenzyl)amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 448.913739423 u |
| Formula | C14H13I2N |
| InChI | InChI=1S/C14H13I2N/c15-13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(16)8-12/h1-8,17H,9-10H2 |
| InChIKey | ZOLXAOHWDZSBPD-UHFFFAOYSA-N |
| Molecular Weight | 449.074 g/mol |
| SMILES | C=1(CNCC2=CC(=CC=C2)I)C=C(C=CC1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839822 |