| SpectraBase Spectrum ID |
I6nOwHn6Y7m |
| Name |
Butyric acid, 2-phenyl-, 2-methylpent-3-yl 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/c1-5-14(13-10-8-7-9-11-13)16(17)18-15(6-2)12(3)4/h7-12,14-15H,5-6H2,1-4H3 |
| InChIKey |
HDKNDEMKNGDJSO-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) |
0.94255 |
