| SpectraBase Compound ID | 8IEqNev5neW |
|---|---|
| InChI | InChI=1S/C10H15ClO4/c1-8(2)7-15-10(13)4-3-9(12)14-6-5-11/h3-4,8H,5-7H2,1-2H3/b4-3+ |
| InChIKey | IBEQIDKPXWNARK-ONEGZZNKSA-N |
| Mol Weight | 234.68 g/mol |
| Molecular Formula | C10H15ClO4 |
| Exact Mass | 234.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AykYpE5G9yJ |
|---|---|
| Name | Fumaric acid, 2-chloroethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.065886659 u |
| Formula | C10H15ClO4 |
| InChI | InChI=1S/C10H15ClO4/c1-8(2)7-15-10(13)4-3-9(12)14-6-5-11/h3-4,8H,5-7H2,1-2H3/b4-3+ |
| InChIKey | IBEQIDKPXWNARK-ONEGZZNKSA-N |
| Molecular Weight | 234.679 g/mol |
| SMILES | CC(COC(\C=C\C(OCCCl)=O)=O)C |