| SpectraBase Compound ID | BAN3isZzBIg |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey | XVSZRAWFCDHCBP-UHFFFAOYSA-N |
| Mol Weight | 186.29 g/mol |
| Molecular Formula | C11H22O2 |
| Exact Mass | 186.16198 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9WQGgGdZPV2 |
|---|---|
| Name | HEXANOIC ACID, 3-METHYLBUTYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C11H22O2 |
| InChI | InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3 |
| InChIKey | XVSZRAWFCDHCBP-UHFFFAOYSA-N |
| Molecular Weight | 186.1614 |
| SMILES | CCCCCC(OCCC(C)C)=O |
| SPLASH | splash10-006x-9000000000-00617907126a552c0705 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |