| SpectraBase Spectrum ID |
1XyWZbDXykV |
| Name |
4-[(Dimethylcarbamoyl)methyl]-5-oxo-4-phenylhexanoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.178358285 u |
| Formula |
C18H25NO4 |
| InChI |
InChI=1S/C18H25NO4/c1-5-23-17(22)11-12-18(14(2)20,13-16(21)19(3)4)15-9-7-6-8-10-15/h6-10H,5,11-13H2,1-4H3 |
| InChIKey |
NANLAVLPHDENBV-UHFFFAOYSA-N |
| Molecular Weight |
319.401 g/mol |
| SMILES |
C=1C(=CC=CC1)C(CCC(OCC)=O)(C(C)=O)CC(N(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.954448 |
![4-[(Dimethylcarbamoyl)methyl]-5-oxo-4-phenylhexanoic acid, ethyl ester](/api/spectrum/1XyWZbDXykV/structure.png?h=300&w=458 "4-[(Dimethylcarbamoyl)methyl]-5-oxo-4-phenylhexanoic acid, ethyl ester")
