| SpectraBase Spectrum ID |
IrOR4le7Xx9 |
| Name |
methyl 3-(4-chloropyrazol-1-yl)-4-methyl-benzoate |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11ClN2O2 |
| GC Oven Program |
Oven temp 300oC, Split injector |
| InChI |
InChI=1S/C12H11ClN2O2/c1-8-3-4-9(12(16)17-2)5-11(8)15-7-10(13)6-14-15/h3-7H,1-2H3 |
| InChIKey |
KKTMYQMROKQUNS-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7890A-5975 MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202011815 |
| Molecular Weight |
250.685 g/mol |
| SMILES |
c1c(c(cc(c1)C(=O)OC)-[n]1ncc(Cl)c1)C |
| SPLASH |
splash10-0udi-5790000000-652c7b01784f376682f5 |
| Source of Spectrum |
ACI-60-SM25-25-1 |
| Wiley ID |
1880540 |
