| SpectraBase Compound ID | XNBea3wn8k |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-4-5-6-7-10(8-11(13)15-2)9-12(14)16-3/h10H,4-9H2,1-3H3 |
| InChIKey | MGKNBUGYUUYYFA-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8pN5XJsvH5P |
|---|---|
| Name | 3-PENTYLPENTANEDIOIC ACID ,DIMETHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-4-5-6-7-10(8-11(13)15-2)9-12(14)16-3/h10H,4-9H2,1-3H3 |
| InChIKey | MGKNBUGYUUYYFA-UHFFFAOYSA-N |
| Molecular Weight | 230.1512 |
| SMILES | COC(CC(CCCCC)CC(OC)=O)=O |
| SPLASH | splash10-0a4i-9600000000-24c0dbc2944df01cc41b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |