| SpectraBase Compound ID | PdjxFOohGR |
|---|---|
| InChI | InChI=1S/C21H28N4O4/c1-13-17(26)24-21(2,3)20(29)23-15(12-14-8-5-4-6-9-14)19(28)25-11-7-10-16(25)18(27)22-13/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3,(H,22,27)(H,23,29)(H,24,26) |
| InChIKey | VHNYFUWAYJCUML-UHFFFAOYSA-N |
| Mol Weight | 400.48 g/mol |
| Molecular Formula | C21H28N4O4 |
| Exact Mass | 400.211055 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhZ2ZyjB3hU |
|---|---|
| Name | /4/-Alanine-chlamydocin |
| CAS Registry Number | 71996-70-8 |
| Comments | CONFORMER 2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H28N4O4 |
| InChI | InChI=1S/C21H28N4O4/c1-13-17(26)24-21(2,3)20(29)23-15(12-14-8-5-4-6-9-14)19(28)25-11-7-10-16(25)18(27)22-13/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3,(H,22,27)(H,23,29)(H,24,26) |
| InChIKey | VHNYFUWAYJCUML-UHFFFAOYSA-N |
| Literature Reference | M. Kawai, R.D. Jasensky, D.H.Rich, J. Am. Chem. Soc. 105, 4456 (1983). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |