| SpectraBase Compound ID | DdzH1FUI8l7 |
|---|---|
| InChI | InChI=1S/C12H21ClO3/c1-3-4-5-7-10(2)16-12(15)9-6-8-11(13)14/h10H,3-9H2,1-2H3 |
| InChIKey | KRYMKWMJARZPGE-UHFFFAOYSA-N |
| Mol Weight | 248.75 g/mol |
| Molecular Formula | C12H21ClO3 |
| Exact Mass | 248.117922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 58mKF8ytkw8 |
|---|---|
| Name | Glutaric acid, monochloride, 2-heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.117922233 u |
| Formula | C12H21ClO3 |
| InChI | InChI=1S/C12H21ClO3/c1-3-4-5-7-10(2)16-12(15)9-6-8-11(13)14/h10H,3-9H2,1-2H3 |
| InChIKey | KRYMKWMJARZPGE-UHFFFAOYSA-N |
| Molecular Weight | 248.750 g/mol |
| SMILES | CC(OC(CCCC(Cl)=O)=O)CCCCC |