![N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}(methyl)homocysteine](/api/spectrum/4PBgIZciTfD/structure.png?h=300&w=458 "N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}(methyl)homocysteine")
| SpectraBase Compound ID | BJXREeWFx9B |
|---|---|
| InChI | InChI=1S/C12H13ClF3NO4S2/c1-22-5-4-10(11(18)19)17-23(20,21)7-2-3-9(13)8(6-7)12(14,15)16/h2-3,6,10,17H,4-5H2,1H3,(H,18,19) |
| InChIKey | BAFBGNDGKMLCHH-UHFFFAOYSA-N |
| Mol Weight | 391.81 g/mol |
| Molecular Formula | C12H13ClF3NO4S2 |
| Exact Mass | 390.992662 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4PBgIZciTfD |
|---|---|
| Name | N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}(methyl)homocysteine |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.992662436 u |
| Formula | C12H13ClF3NO4S2 |
| InChI | InChI=1S/C12H13ClF3NO4S2/c1-22-5-4-10(11(18)19)17-23(20,21)7-2-3-9(13)8(6-7)12(14,15)16/h2-3,6,10,17H,4-5H2,1H3,(H,18,19) |
| InChIKey | BAFBGNDGKMLCHH-UHFFFAOYSA-N |
| Molecular Weight | 391.807 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2619 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279719 |