![homocysteine, S-methyl-N-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylbenzoyl)-](/api/spectrum/9eZbfo4dxOP/structure.png?h=300&w=458 "homocysteine, S-methyl-N-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylbenzoyl)-")
| SpectraBase Compound ID | Gqkndq5tIvx |
|---|---|
| InChI | InChI=1S/C22H29NO3S/c1-27-7-6-19(21(25)26)23-20(24)17-2-4-18(5-3-17)22-11-14-8-15(12-22)10-16(9-14)13-22/h2-5,14-16,19H,6-13H2,1H3,(H,23,24)(H,25,26)/t14-,15+,16-,19?,22- |
| InChIKey | KXZFYDMHAOYYBA-OVAGRXEJSA-N |
| Mol Weight | 387.54 g/mol |
| Molecular Formula | C22H29NO3S |
| Exact Mass | 387.186815 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 9eZbfo4dxOP |
|---|---|
| Name | homocysteine, S-methyl-N-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylbenzoyl)- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.186814969 u |
| Formula | C22H29NO3S |
| InChI | InChI=1S/C22H29NO3S/c1-27-7-6-19(21(25)26)23-20(24)17-2-4-18(5-3-17)22-11-14-8-15(12-22)10-16(9-14)13-22/h2-5,14-16,19H,6-13H2,1H3,(H,23,24)(H,25,26)/t14-,15+,16-,19?,22- |
| InChIKey | KXZFYDMHAOYYBA-OVAGRXEJSA-N |
| Molecular Weight | 387.538 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2017_12373 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/10272109; Lab Info: AI; Lab Number: AI-S001348 |