| SpectraBase Spectrum ID |
3Umq6u2VSN2 |
| Name |
(1S,2E,5E)-1-Methyl-6-phenyl-N-(T-butoxycarbonyl)-2,5-hexadienamine |
| 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/c1-15(19-17(20)21-18(2,3)4)11-7-5-8-12-16-13-9-6-10-14-16/h6-15H,5H2,1-4H3,(H,19,20)/b11-7+,12-8+/t15-/m0/s1 |
| InChIKey |
WKCOIJGXVTXIGV-AQFLHMDOSA-N |
| Molecular Weight |
287.403 g/mol |
| SMILES |
C(N[C@](\C=C\C\C=C\C=1C=CC=CC1)(C)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933168 |
