| SpectraBase Spectrum ID |
3iUSAQ6rqY5 |
| Name |
(E)-3-Methyl-5-(4-morpholinyl)-5-phenyl-4-pentenoic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.214743795 u |
| Formula |
C20H29NO3 |
| InChI |
InChI=1S/C20H29NO3/c1-16(15-19(22)24-20(2,3)4)14-18(17-8-6-5-7-9-17)21-10-12-23-13-11-21/h5-9,14,16H,10-13,15H2,1-4H3/b18-14+ |
| InChIKey |
HRWKOHDADHGXOH-NBVRZTHBSA-N |
| Molecular Weight |
331.456 g/mol |
| SMILES |
C(CC(\C=C/(C=1C=CC=CC1)N1CCOCC1)C)(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910921 |
