SpectraBase Compound ID | 4rNiu80suhA |
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InChI | InChI=1S/C12H22O4/c1-4-5-9-15-11(13)7-6-8-12(14)16-10(2)3/h10H,4-9H2,1-3H3 |
InChIKey | BTWAKXATLUFYHO-UHFFFAOYSA-N |
Mol Weight | 230.3 g/mol |
Molecular Formula | C12H22O4 |
Exact Mass | 230.151809 g/mol |
SpectraBase Spectrum ID | KedBhvg1tNS |
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Name | Glutaric acid, butyl isopropyl 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/c1-4-5-9-15-11(13)7-6-8-12(14)16-10(2)3/h10H,4-9H2,1-3H3 |
InChIKey | BTWAKXATLUFYHO-UHFFFAOYSA-N |
Molecular Weight | 230.304 g/mol |
SMILES | CC(OC(CCCC(OCCCC)=O)=O)C |