| SpectraBase Compound ID | HMGgjYtEdAI |
|---|---|
| InChI | InChI=1S/C17H21N3O6S/c1-15(24)9-20-14(23)16(25)10(8-27-11-4-2-3-6-18-11)5-7-26-17(20,12(15)21)13(22)19-16/h2-4,6,10,12,21,24-25H,5,7-9H2,1H3,(H,19,22)/t10-,12+,15+,16-,17+/m1/s1 |
| InChIKey | NIHXDNDCQVBSRR-XXUWYGEDSA-N |
| Mol Weight | 395.43 g/mol |
| Molecular Formula | C17H21N3O6S |
| Exact Mass | 395.115107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9SnV2O18YFZ |
|---|---|
| Name | NIHXDNDCQVBSRR-XXUWYGEDSA-N |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H21N3O6S |
| InChI | InChI=1S/C17H21N3O6S/c1-15(24)9-20-14(23)16(25)10(8-27-11-4-2-3-6-18-11)5-7-26-17(20,12(15)21)13(22)19-16/h2-4,6,10,12,21,24-25H,5,7-9H2,1H3,(H,19,22)/t10-,12+,15+,16-,17+/m1/s1 |
| InChIKey | NIHXDNDCQVBSRR-XXUWYGEDSA-N |
| Literature Reference Author | M.A.VELA,H.KOHN |
| Literature Reference Citation | J.ORG.CHEM.,57,5223(1992) |
| Literature Reference DOI | 10.1021/jo00045a041 |
| Molecular Weight | 395.430 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS2999 |