SpectraBase Spectrum ID |
DfdxneskdbF |
Name |
Methyl 3-[benzyl(2-methyl-2-propenyl)amino]propanoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.157228918 u |
Formula |
C15H21NO2 |
InChI |
InChI=1S/C15H21NO2/c1-13(2)11-16(10-9-15(17)18-3)12-14-7-5-4-6-8-14/h4-8H,1,9-12H2,2-3H3 |
InChIKey |
QUARGKSNEQAEBT-UHFFFAOYSA-N |
Molecular Weight |
247.338 g/mol |
SMILES |
C(CCN(CC(=C)C)CC1=CC=CC=C1)(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815458 |