| SpectraBase Compound ID | AysTutzn6kl |
|---|---|
| InChI | InChI=1S/C17H23N3O7S/c18-11(17(26)27)5-6-14(22)20-12(16(25)19-7-15(23)24)9-28-8-10-3-1-2-4-13(10)21/h1-4,11-12,21H,5-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t11-,12+/m0/s1 |
| InChIKey | FGUKMPMEWAGOLF-NWDGAFQWSA-N |
| Mol Weight | 413.45 g/mol |
| Molecular Formula | C17H23N3O7S |
| Exact Mass | 413.125671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HI3N0SGsGv7 |
|---|---|
| Name | S-(2-HYDROXY-BENZYL)-GLUTATHIONE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H23N3O7S |
| InChI | InChI=1S/C17H23N3O7S/c18-11(17(26)27)5-6-14(22)20-12(16(25)19-7-15(23)24)9-28-8-10-3-1-2-4-13(10)21/h1-4,11-12,21H,5-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t11-,12+/m0/s1 |
| InChIKey | FGUKMPMEWAGOLF-NWDGAFQWSA-N |
| Literature Reference Author | E.MODICA,R.ZANALETTI,M.FRECCERO,M.MELLA |
| Literature Reference Citation | J.ORG.CHEM.,66,41(2001) |
| Literature Reference DOI | 10.1021/jo0006627 |
| Molecular Weight | 413.446 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS27616 |