| SpectraBase Compound ID | CzNonu2ZJvG |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-11-13-10-15(21-6)14(20-5)9-12(13)7-8-18(11)16(19)22-17(2,3)4/h9-11H,7-8H2,1-6H3/t11-/m0/s1 |
| InChIKey | CRSHBCSIJWVDOT-NSHDSACASA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUECZK081z8 |
|---|---|
| Name | (S)-N-Tert-butoxycarbonyl)salsolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.178358285 u |
| Formula | C17H25NO4 |
| InChI | InChI=1S/C17H25NO4/c1-11-13-10-15(21-6)14(20-5)9-12(13)7-8-18(11)16(19)22-17(2,3)4/h9-11H,7-8H2,1-6H3/t11-/m0/s1 |
| InChIKey | CRSHBCSIJWVDOT-NSHDSACASA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | C(N1[C@](C2=CC(OC)=C(C=C2CC1)OC)(C)[H])(OC(C)(C)C)=O |