| SpectraBase Spectrum ID |
5szH03isDsi |
| Name |
(1-Phenylnon-2-ynyl) acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.161979946 u |
| Formula |
C17H22O2 |
| InChI |
InChI=1S/C17H22O2/c1-3-4-5-6-7-11-14-17(19-15(2)18)16-12-9-8-10-13-16/h8-10,12-13,17H,3-7H2,1-2H3 |
| InChIKey |
JBJCHMNFBQLYDZ-UHFFFAOYSA-N |
| Molecular Weight |
258.361 g/mol |
| SMILES |
C(C)(=O)OC(C#CCCCCCC)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903331 |
