| SpectraBase Spectrum ID |
9uAbcDu3O3r |
| Name |
Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxohexanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.173272904 u |
| Formula |
C18H25NO5 |
| InChI |
InChI=1S/C18H25NO5/c1-5-14(20)11-15(19-17(22)24-18(2,3)4)16(21)23-12-13-9-7-6-8-10-13/h6-10,15H,5,11-12H2,1-4H3,(H,19,22)/t15-/m0/s1 |
| InChIKey |
QGECONDVZKBUDD-HNNXBMFYSA-N |
| Molecular Weight |
335.400 g/mol |
| SMILES |
C(N[C@](C(OCC=1C=CC=CC1)=O)(CC(=O)CC)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868289 |
![Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxohexanoate](/api/spectrum/9uAbcDu3O3r/structure.png?h=300&w=458 "Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxohexanoate")
