| SpectraBase Compound ID | IxSjHSUFUns |
|---|---|
| InChI | InChI=1S/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3 |
| InChIKey | XXRUQNNAKXZSOS-UHFFFAOYSA-N |
| Mol Weight | 216.66 g/mol |
| Molecular Formula | C10H13ClO3 |
| Exact Mass | 216.055322 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Hkb2bfPCIdm |
|---|---|
| Name | 3,4,5-Trimethoxybenzyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.055321976 u |
| Formula | C10H13ClO3 |
| InChI | InChI=1S/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3 |
| InChIKey | XXRUQNNAKXZSOS-UHFFFAOYSA-N |
| Molecular Weight | 216.664 g/mol |
| SMILES | C1=C(C=C(C(=C1OC)OC)OC)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945672 |