| SpectraBase Spectrum ID |
44BPXKALh4e |
| Name |
Succinic acid, hex-4-yn-3-yl 4-chloro-2-methoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.092101407 u |
| Formula |
C17H19ClO5 |
| InChI |
InChI=1S/C17H19ClO5/c1-4-6-13(5-2)22-16(19)9-10-17(20)23-14-8-7-12(18)11-15(14)21-3/h7-8,11,13H,5,9-10H2,1-3H3 |
| InChIKey |
RQBDZPDUSMKHGV-UHFFFAOYSA-N |
| Molecular Weight |
338.787 g/mol |
| SMILES |
C(CC(OC(CC)C#CC)=O)C(OC1=C(C=C(C=C1)Cl)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891077 |
