| SpectraBase Spectrum ID |
KlUDIDgwJo5 |
| Name |
Glutaric acid, hex-4-yn-3-yl 3-phenoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.178023932 u |
| Formula |
C24H26O5 |
| InChI |
InChI=1S/C24H26O5/c1-3-10-20(4-2)29-24(26)16-9-15-23(25)27-18-19-11-8-14-22(17-19)28-21-12-6-5-7-13-21/h5-8,11-14,17,20H,4,9,15-16,18H2,1-2H3 |
| InChIKey |
SBYGSDUIILINPF-UHFFFAOYSA-N |
| Molecular Weight |
394.467 g/mol |
| SMILES |
C(CCC(OC(CC)C#CC)=O)C(OCC1=CC=CC(OC2=CC=CC=C2)=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860736 |
