| SpectraBase Spectrum ID |
JPz8Xr9Z0QW |
| Name |
Butyric acid, 2-phenyl-, 4-methyl-2-pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.177630011 u |
| Formula |
C16H24O2 |
| InChI |
InChI=1S/C16H24O2/c1-5-15(14-9-7-6-8-10-14)16(17)18-13(4)11-12(2)3/h6-10,12-13,15H,5,11H2,1-4H3 |
| InChIKey |
OMNGYYASSMTEQW-UHFFFAOYSA-N |
| Molecular Weight |
248.366 g/mol |
| SMILES |
C(C(C(OC(CC(C)C)C)=O)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969779 |
