| SpectraBase Spectrum ID |
AwAcrh8L7ZT |
| Name |
Succinic acid, monochloride, 3,3-dimethylbut-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.086622104 u |
| Formula |
C10H17ClO3 |
| InChI |
InChI=1S/C10H17ClO3/c1-7(10(2,3)4)14-9(13)6-5-8(11)12/h7H,5-6H2,1-4H3 |
| InChIKey |
PUJBLZZZGPXNRQ-UHFFFAOYSA-N |
| Molecular Weight |
220.696 g/mol |
| SMILES |
C(CC(OC(C(C)(C)C)C)=O)C(Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882907 |
