![{{[(6-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)CARBAMOYL]METHYL}THIO}ACETIC ACID](/api/spectrum/ClhBBBAr964/structure.png?h=300&w=458 "{{[(6-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-TOLYL)CARBAMOYL]METHYL}THIO}ACETIC ACID")
| SpectraBase Compound ID | 8HBvsuuMRaN |
|---|---|
| InChI | InChI=1S/C11H9ClF3NO3S/c12-7-2-1-6(11(13,14)15)3-8(7)16-9(17)4-20-5-10(18)19/h1-3H,4-5H2,(H,16,17)(H,18,19) |
| InChIKey | SKQPVQXDLQKWMG-UHFFFAOYSA-N |
| Mol Weight | 327.71 g/mol |
| Molecular Formula | C11H9ClF3NO3S |
| Exact Mass | 326.994377 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ClhBBBAr964 |
|---|---|
| Name | {{[(6-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl]methyl}thio}acetic acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H9ClF3NO3S |
| InChI | InChI=1S/C11H9ClF3NO3S/c12-7-2-1-6(11(13,14)15)3-8(7)16-9(17)4-20-5-10(18)19/h1-3H,4-5H2,(H,16,17)(H,18,19) |
| InChIKey | SKQPVQXDLQKWMG-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46514M |
| Solvent | DMSO-d6 |