| SpectraBase Compound ID | CdMCKfDVsvh |
|---|---|
| InChI | InChI=1S/C10H13NO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6,11H2 |
| InChIKey | LOIMKZYNBRCYDN-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
| SpectraBase Spectrum ID | AdhoN8cUjMx |
|---|---|
| Name | Benzenamine, 3-(1,3-dioxolan-2-yl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6,11H2 |
| InChIKey | LOIMKZYNBRCYDN-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C1(C2=CC(N)=CC=C2)OCCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.819258 |