![t-Butyl (E)-(2S)-2-[(benzyloxycarbonyl)amino]-5-carbamoylpent-4-enoate](/api/spectrum/J8UoU3nQyak/structure.png?h=300&w=458 "t-Butyl (E)-(2S)-2-[(benzyloxycarbonyl)amino]-5-carbamoylpent-4-enoate")
| SpectraBase Compound ID | A0aC9JuFGTH |
|---|---|
| InChI | InChI=1S/C18H24N2O5/c1-18(2,3)25-16(22)14(10-7-11-15(19)21)20-17(23)24-12-13-8-5-4-6-9-13/h4-9,11,14H,10,12H2,1-3H3,(H2,19,21)(H,20,23)/b11-7+/t14-/m0/s1 |
| InChIKey | XLXLCDJZODUXFH-OIOXUXFSSA-N |
| Mol Weight | 348.4 g/mol |
| Molecular Formula | C18H24N2O5 |
| Exact Mass | 348.168522 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J8UoU3nQyak |
|---|---|
| Name | T-Butyl (E)-(2S)-2-[(benzyloxycarbonyl)amino]-5-carbamoylpent-4-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.168521876 u |
| Formula | C18H24N2O5 |
| InChI | InChI=1S/C18H24N2O5/c1-18(2,3)25-16(22)14(10-7-11-15(19)21)20-17(23)24-12-13-8-5-4-6-9-13/h4-9,11,14H,10,12H2,1-3H3,(H2,19,21)(H,20,23)/b11-7+/t14-/m0/s1 |
| InChIKey | XLXLCDJZODUXFH-OIOXUXFSSA-N |
| Molecular Weight | 348.399 g/mol |
| SMILES | C(OC(C)(C)C)([C@@](NC(=O)OCC1=CC=CC=C1)(C\C=C\C(=O)N)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840561 |