homocysteine](/api/spectrum/DAthpYhusEh/structure.png?h=300&w=458 "N-[(3-chloro-4-fluorophenyl)sulfonyl](methyl)homocysteine")
| SpectraBase Compound ID | 5316nNy90Cs |
|---|---|
| InChI | InChI=1S/C11H13ClFNO4S2/c1-19-5-4-10(11(15)16)14-20(17,18)7-2-3-9(13)8(12)6-7/h2-3,6,10,14H,4-5H2,1H3,(H,15,16) |
| InChIKey | XWJNKCOADQIXDX-UHFFFAOYSA-N |
| Mol Weight | 341.8 g/mol |
| Molecular Formula | C11H13ClFNO4S2 |
| Exact Mass | 340.995856 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | DAthpYhusEh |
|---|---|
| Name | N-[(3-chloro-4-fluorophenyl)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 | 340.995856110 u |
| Formula | C11H13ClFNO4S2 |
| InChI | InChI=1S/C11H13ClFNO4S2/c1-19-5-4-10(11(15)16)14-20(17,18)7-2-3-9(13)8(12)6-7/h2-3,6,10,14H,4-5H2,1H3,(H,15,16) |
| InChIKey | XWJNKCOADQIXDX-UHFFFAOYSA-N |
| Molecular Weight | 341.799 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2610 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279709 |