| SpectraBase Spectrum ID |
BwBGbHoaZfH |
| Name |
Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.193280075 u |
| Formula |
C19H26O2 |
| InChI |
InChI=1S/C19H26O2/c1-5-7-13-17(14-15(3)4)21-19(20)18(6-2)16-11-9-8-10-12-16/h8-12,15,17-18H,5-6,14H2,1-4H3 |
| InChIKey |
LOJIOLGLNIGEJX-UHFFFAOYSA-N |
| Molecular Weight |
286.415 g/mol |
| SMILES |
C(C(C(OC(CC(C)C)C#CCC)=O)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950912 |
