| SpectraBase Spectrum ID |
KXSTlfsLNDj |
| Name |
Methyl 5-(2-phenylpropionyl)hexanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.156894565 u |
| Formula |
C16H22O3 |
| InChI |
InChI=1S/C16H22O3/c1-12(8-7-11-15(17)19-3)16(18)13(2)14-9-5-4-6-10-14/h4-6,9-10,12-13H,7-8,11H2,1-3H3 |
| InChIKey |
DDERNOBFKXELIC-UHFFFAOYSA-N |
| Molecular Weight |
262.349 g/mol |
| SMILES |
C1=CC(=CC=C1)C(C(=O)C(CCCC(OC)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861221 |
