![methyl-N-{[3-(trifluoromethyl)phenyl]sulfonyl}homocysteine](/api/spectrum/7q2bSnaCyjR/structure.png?h=300&w=458 "methyl-N-{[3-(trifluoromethyl)phenyl]sulfonyl}homocysteine")
| SpectraBase Compound ID | IOtDOWXX2u1 |
|---|---|
| InChI | InChI=1S/C12H14F3NO4S2/c1-21-6-5-10(11(17)18)16-22(19,20)9-4-2-3-8(7-9)12(13,14)15/h2-4,7,10,16H,5-6H2,1H3,(H,17,18) |
| InChIKey | BGORJJLXLJKFMJ-UHFFFAOYSA-N |
| Mol Weight | 357.36 g/mol |
| Molecular Formula | C12H14F3NO4S2 |
| Exact Mass | 357.031635 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 7q2bSnaCyjR |
|---|---|
| Name | methyl-N-{[3-(trifluoromethyl)phenyl]sulfonyl}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 | 357.031634768 u |
| Formula | C12H14F3NO4S2 |
| InChI | InChI=1S/C12H14F3NO4S2/c1-21-6-5-10(11(17)18)16-22(19,20)9-4-2-3-8(7-9)12(13,14)15/h2-4,7,10,16H,5-6H2,1H3,(H,17,18) |
| InChIKey | BGORJJLXLJKFMJ-UHFFFAOYSA-N |
| Molecular Weight | 357.362 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2631 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279731 |