![1H-Pyrazole-4-carboxylic acid, 5-amino-1-[2-chloro-4-(methylsulfonyl)phenyl]-, methyl ester](/api/spectrum/XO8JlHEQpC/structure.png?h=300&w=458 "1H-Pyrazole-4-carboxylic acid, 5-amino-1-[2-chloro-4-(methylsulfonyl)phenyl]-, methyl ester")
| SpectraBase Compound ID | Lcm7nHXDtWM |
|---|---|
| InChI | InChI=1S/C12H12ClN3O4S/c1-20-12(17)8-6-15-16(11(8)14)10-4-3-7(5-9(10)13)21(2,18)19/h3-6H,14H2,1-2H3 |
| InChIKey | RNFWLVZUBWAKRF-UHFFFAOYSA-N |
| Mol Weight | 329.76 g/mol |
| Molecular Formula | C12H12ClN3O4S |
| Exact Mass | 329.023705 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | XO8JlHEQpC |
|---|---|
| Name | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-[2-chloro-4-(methylsulfonyl)phenyl]-, methyl ester |
| CAS Registry Number | 83279-82-7 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H12ClN3O4S |
| InChI | InChI=1S/C12H12ClN3O4S/c1-20-12(17)8-6-15-16(11(8)14)10-4-3-7(5-9(10)13)21(2,18)19/h3-6H,14H2,1-2H3 |
| InChIKey | RNFWLVZUBWAKRF-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 112 |
| Technique | KBr-Pellet |