| SpectraBase Spectrum ID |
2BQSL88ivbp |
| Name |
Cyclopropanecarboxylic acid, trans-2-phenyl-, tridec-2-yn-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.240230268 u |
| Formula |
C23H32O2 |
| InChI |
InChI=1S/C23H32O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-25-23(24)22-19-21(22)20-16-13-12-14-17-20/h12-14,16-17,21-22H,2-10,18-19H2,1H3 |
| InChIKey |
KXPCSKONBZEVBF-UHFFFAOYSA-N |
| Molecular Weight |
340.507 g/mol |
| SMILES |
C1C(C2=CC=CC=C2)C1C(OCC#CCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841252 |
