![Benzyl 2(S)-(tert-butoxycarbonyl)amino]-4(R/S)-phenylhex-5-enoate](/api/spectrum/JwQVDqPTzyn/structure.png?h=300&w=458 "Benzyl 2(S)-(tert-butoxycarbonyl)amino]-4(R/S)-phenylhex-5-enoate")
| SpectraBase Compound ID | EdZazIrzWW2 |
|---|---|
| InChI | InChI=1S/C24H29NO4/c1-5-19(20-14-10-7-11-15-20)16-21(25-23(27)29-24(2,3)4)22(26)28-17-18-12-8-6-9-13-18/h5-15,19,21H,1,16-17H2,2-4H3,(H,25,27)/t19?,21-/m0/s1 |
| InChIKey | IIMNFIWFXVHBJM-QWAKEFERSA-N |
| Mol Weight | 395.5 g/mol |
| Molecular Formula | C24H29NO4 |
| Exact Mass | 395.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JwQVDqPTzyn |
|---|---|
| Name | Benzyl 2(S)-(tert-butoxycarbonyl)amino]-4(R/S)-phenylhex-5-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.209658414 u |
| Formula | C24H29NO4 |
| InChI | InChI=1S/C24H29NO4/c1-5-19(20-14-10-7-11-15-20)16-21(25-23(27)29-24(2,3)4)22(26)28-17-18-12-8-6-9-13-18/h5-15,19,21H,1,16-17H2,2-4H3,(H,25,27)/t19?,21-/m0/s1 |
| InChIKey | IIMNFIWFXVHBJM-QWAKEFERSA-N |
| Molecular Weight | 395.499 g/mol |
| SMILES | C(N[C@](C(OCC=1C=CC=CC1)=O)(CC(C=C)C=1C=CC=CC1)[H])(OC(C)(C)C)=O |