| SpectraBase Spectrum ID |
LMnj26Ji5YM |
| Name |
1,2-Benzenediol, o,o'-di(5-chlorovaleryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.073864520 u |
| Formula |
C16H20Cl2O4 |
| InChI |
InChI=1S/C16H20Cl2O4/c17-11-5-3-9-15(19)21-13-7-1-2-8-14(13)22-16(20)10-4-6-12-18/h1-2,7-8H,3-6,9-12H2 |
| InChIKey |
NHFSIFLTFNEXGN-UHFFFAOYSA-N |
| Molecular Weight |
347.238 g/mol |
| SMILES |
C(CCCC(OC=1C(=CC=CC1)OC(CCCCCl)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938035 |
