| SpectraBase Compound ID | 9iHOZjUV8Z8 |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-5-7(3)9(10(12)13-4)14-8(11)6-2/h7,9H,5-6H2,1-4H3/t7-,9+/m0/s1 |
| InChIKey | XZYLWGKRZUNUGE-IONNQARKSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C10H18O4 |
| Exact Mass | 202.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJE8DPFHdEH |
|---|---|
| Name | Methyl (2rs, 3sr)-3-methyl-2-(propanoyloxy)pentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.120509056 u |
| Formula | C10H18O4 |
| InChI | InChI=1S/C10H18O4/c1-5-7(3)9(10(12)13-4)14-8(11)6-2/h7,9H,5-6H2,1-4H3/t7-,9+/m0/s1 |
| InChIKey | XZYLWGKRZUNUGE-IONNQARKSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | CC[C@](C)([C@@](OC(=O)CC)(C(OC)=O)[H])[H] |