| SpectraBase Compound ID | CxvXwYCXIly |
|---|---|
| InChI | InChI=1S/C11H19ClO3/c1-3-5-9(6-4-2)15-11(14)8-7-10(12)13/h9H,3-8H2,1-2H3 |
| InChIKey | GMHUSZRKKXFXSG-UHFFFAOYSA-N |
| Mol Weight | 234.72 g/mol |
| Molecular Formula | C11H19ClO3 |
| Exact Mass | 234.102272 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HqGabJQi2xM |
|---|---|
| Name | Succinic acid, monochloride, 4-heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.102272169 u |
| Formula | C11H19ClO3 |
| InChI | InChI=1S/C11H19ClO3/c1-3-5-9(6-4-2)15-11(14)8-7-10(12)13/h9H,3-8H2,1-2H3 |
| InChIKey | GMHUSZRKKXFXSG-UHFFFAOYSA-N |
| Molecular Weight | 234.723 g/mol |
| SMILES | C(C(OC(CCC)CCC)=O)CC(Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977112 |