| SpectraBase Compound ID | 6qJ0Fqkt6rh |
|---|---|
| InChI | InChI=1S/C6H6ClN3O3/c1-3(11)5(7)10-4(6(12)13)2-8-9-10/h2,5H,1H3,(H,12,13) |
| InChIKey | ONPKKPVFYVCMBD-UHFFFAOYSA-N |
| Mol Weight | 203.59 g/mol |
| Molecular Formula | C6H6ClN3O3 |
| Exact Mass | 203.009769 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1LMAbopfqkP |
|---|---|
| Name | (+-)-1-(1-Chloro-2-oxopropyl)-1H-1,2,3-trizole-5-carboxaylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6ClN3O3 |
| InChI | InChI=1S/C6H6ClN3O3/c1-3(11)5(7)10-4(6(12)13)2-8-9-10/h2,5H,1H3,(H,12,13) |
| InChIKey | ONPKKPVFYVCMBD-UHFFFAOYSA-N |
| Molecular Weight | 203.585 g/mol |
| SMILES | OC(c1[n](nnc1)C(C(=O)C)Cl)=O |
| SPLASH | splash10-0006-9000000000-a5641279d4eb00353c96 |
| Source of Spectrum | F-52-8823-9g |
| Wiley ID | 797414 |