SpectraBase Compound ID | IeJHdHWdpTY |
---|---|
InChI | InChI=1S/C4Cl2O3/c5-1-2(6)4(8)9-3(1)7 |
InChIKey | AGULWIQIYWWFBJ-UHFFFAOYSA-N |
Mol Weight | 166.95 g/mol |
Molecular Formula | C4Cl2O3 |
Exact Mass | 165.922449 g/mol |
SpectraBase Spectrum ID | uB4rjCVTMQ |
---|---|
Name | alpha,beta-Dichloromaleic anhydride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 165.922449257 u |
Formula | C4Cl2O3 |
InChI | InChI=1S/C4Cl2O3/c5-1-2(6)4(8)9-3(1)7 |
InChIKey | AGULWIQIYWWFBJ-UHFFFAOYSA-N |
Molecular Weight | 166.947 g/mol |
SMILES | C1(OC(C(=C1Cl)Cl)=O)=O |
Spectrum/Structure Validation Score (Raman) | 0.984345 |