| SpectraBase Spectrum ID |
IkkrzeS7O49 |
| Name |
[(E)(S)-1-Benzyl-4-methylpenta-2,4-dienyl]carbamic acid T-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.188529047 u |
| Formula |
C18H25NO2 |
| InChI |
InChI=1S/C18H25NO2/c1-14(2)11-12-16(13-15-9-7-6-8-10-15)19-17(20)21-18(3,4)5/h6-12,16H,1,13H2,2-5H3,(H,19,20)/b12-11+/t16-/m1/s1 |
| InChIKey |
LRNYBKXGXPHEAR-LPQFERQCSA-N |
| Molecular Weight |
287.403 g/mol |
| SMILES |
C(N[C@](\C=C\C(=C)C)(CC=1C=CC=CC1)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961655 |
![[(E)(S)-1-Benzyl-4-methylpenta-2,4-dienyl]carbamic acid t-butyl ester](/api/spectrum/IkkrzeS7O49/structure.png?h=300&w=458 "[(E)(S)-1-Benzyl-4-methylpenta-2,4-dienyl]carbamic acid t-butyl ester")
