| SpectraBase Compound ID | Gn63vIth5z8 |
|---|---|
| InChI | InChI=1S/C8H7ClN2O/c1-4-7(12)11-6(3)8(9)5(2)10-11/h1H,2-3H3 |
| InChIKey | XHHGSAQOXLRNBR-UHFFFAOYSA-N |
| Mol Weight | 182.61 g/mol |
| Molecular Formula | C8H7ClN2O |
| Exact Mass | 182.024691 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 | BHCxFQJGPbW |
|---|---|
| Name | 4-chloro-3,5-dimethyl-1-propynoylpyrazole |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7ClN2O |
| InChI | InChI=1S/C8H7ClN2O/c1-4-7(12)11-6(3)8(9)5(2)10-11/h1H,2-3H3 |
| InChIKey | XHHGSAQOXLRNBR-UHFFFAOYSA-N |
| Molecular Weight | 182.610 g/mol |
| SMILES | c1(n[n](c(c1Cl)C)C(C#C)=O)C |
| SPLASH | splash10-0udi-9400000000-9e46d6665cf5df7b09f1 |
| Source of Spectrum | B-47-991-0 |
| Wiley ID | 1178030 |