| SpectraBase Spectrum ID |
GxvOScIFVCJ |
| Name |
1,3-Benzenediol, o-(2-chlorobenzoyl)-o'-(5-chlorovaleryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.042564391 u |
| Formula |
C18H16Cl2O4 |
| InChI |
InChI=1S/C18H16Cl2O4/c19-11-4-3-10-17(21)23-13-6-5-7-14(12-13)24-18(22)15-8-1-2-9-16(15)20/h1-2,5-9,12H,3-4,10-11H2 |
| InChIKey |
UGKVPEBGTVYACL-UHFFFAOYSA-N |
| Molecular Weight |
367.228 g/mol |
| SMILES |
C1=C(C=CC=C1OC(=O)CCCCCl)OC(=O)C1=C(C=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816599 |
