| SpectraBase Spectrum ID |
Ifkv5n0XPsH |
| Name |
Succinic acid, 4-chloro-3-methylphenyl 3-methylbut-3-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.097186788 u |
| Formula |
C16H19ClO4 |
| InChI |
InChI=1S/C16H19ClO4/c1-11(2)8-9-20-15(18)6-7-16(19)21-13-4-5-14(17)12(3)10-13/h4-5,10H,1,6-9H2,2-3H3 |
| InChIKey |
VXHQNUYSKWQYQF-UHFFFAOYSA-N |
| Molecular Weight |
310.777 g/mol |
| SMILES |
C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCCC(C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968554 |
