SpectraBase Compound ID | 5jmPvx1vUxK |
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InChI | InChI=1S/C12H22O4/c1-4-7-10(3)16-12(14)9-6-8-11(13)15-5-2/h10H,4-9H2,1-3H3 |
InChIKey | NVFPWGHIRWVJRR-UHFFFAOYSA-N |
Mol Weight | 230.3 g/mol |
Molecular Formula | C12H22O4 |
Exact Mass | 230.151809 g/mol |
SpectraBase Spectrum ID | 8Dmfw5tlUF8 |
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Name | Glutaric acid, ethyl 2-pentyl 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/c1-4-7-10(3)16-12(14)9-6-8-11(13)15-5-2/h10H,4-9H2,1-3H3 |
InChIKey | NVFPWGHIRWVJRR-UHFFFAOYSA-N |
Molecular Weight | 230.304 g/mol |
SMILES | CCCC(OC(=O)CCCC(OCC)=O)C |