| SpectraBase Spectrum ID |
n69dng4Ajz |
| Name |
Glutaric acid, hex-4-yn-3-yl (2-naphthyl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.167459249 u |
| Formula |
C22H24O4 |
| InChI |
InChI=1S/C22H24O4/c1-3-8-20(4-2)26-22(24)12-7-11-21(23)25-16-17-13-14-18-9-5-6-10-19(18)15-17/h5-6,9-10,13-15,20H,4,7,11-12,16H2,1-2H3 |
| InChIKey |
TZEMLAQECHQFNH-UHFFFAOYSA-N |
| Molecular Weight |
352.430 g/mol |
| SMILES |
C(CCC(OC(CC)C#CC)=O)C(OCC1=CC2=C(C=CC=C2)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87224 |
