| SpectraBase Compound ID | 87qrz32SN78 |
|---|---|
| InChI | InChI=1S/C12H21ClO4/c1-9(2)7-16-11(14)5-4-6-12(15)17-8-10(3)13/h9-10H,4-8H2,1-3H3 |
| InChIKey | BOTXGOKCXUWFQN-UHFFFAOYSA-N |
| Mol Weight | 264.75 g/mol |
| Molecular Formula | C12H21ClO4 |
| Exact Mass | 264.112837 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 | J2JEpqk8DRW |
|---|---|
| Name | Glutaric acid, 2-chloropropyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.112836852 u |
| Formula | C12H21ClO4 |
| InChI | InChI=1S/C12H21ClO4/c1-9(2)7-16-11(14)5-4-6-12(15)17-8-10(3)13/h9-10H,4-8H2,1-3H3 |
| InChIKey | BOTXGOKCXUWFQN-UHFFFAOYSA-N |
| Molecular Weight | 264.749 g/mol |
| SMILES | CC(C)COC(CCCC(OCC(C)Cl)=O)=O |