| SpectraBase Spectrum ID |
3EW2JZOhQoj |
| Name |
2,4-Dichlorobenzyl alcohol, neopentyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.057820534 u |
| Formula |
C12H16Cl2O |
| InChI |
InChI=1S/C12H16Cl2O/c1-12(2,3)8-15-7-9-4-5-10(13)6-11(9)14/h4-6H,7-8H2,1-3H3 |
| InChIKey |
SZQDJWSEFWXRHB-UHFFFAOYSA-N |
| Molecular Weight |
247.165 g/mol |
| SMILES |
C1(=CC(=CC=C1COCC(C)(C)C)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861884 |
