| SpectraBase Spectrum ID |
Ee24z8ytw0H |
| Name |
Succinic acid, hex-4-yn-3-yl 4-chloro-2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.097186788 u |
| Formula |
C17H19ClO4 |
| InChI |
InChI=1S/C17H19ClO4/c1-4-6-14(5-2)21-16(19)9-10-17(20)22-15-8-7-13(18)11-12(15)3/h7-8,11,14H,5,9-10H2,1-3H3 |
| InChIKey |
VGJQHPNZXUHRNN-UHFFFAOYSA-N |
| Molecular Weight |
322.788 g/mol |
| SMILES |
C(CC(OC(CC)C#CC)=O)C(OC1=CC=C(C=C1C)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961039 |
