| SpectraBase Compound ID | DeIraDlXBn4 |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-5-8-15-10(13)6-7-11(14)16-9-12(2,3)4/h5-9H2,1-4H3 |
| InChIKey | IZOAVGOMFHGPCQ-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4SkSHHWnlsH |
|---|---|
| Name | Succinic acid, neopentyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-5-8-15-10(13)6-7-11(14)16-9-12(2,3)4/h5-9H2,1-4H3 |
| InChIKey | IZOAVGOMFHGPCQ-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | C(C(OCC(C)(C)C)=O)CC(OCCC)=O |