| SpectraBase Compound ID | Gn644OjwOap |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | IGIDLTISMCAULB-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L9PzRxQx6se |
|---|---|
| Name | Pentanoic acid, 3-methyl- |
| CAS Registry Number | 105-43-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | IGIDLTISMCAULB-UHFFFAOYSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | D.H. Marr, Org. Magn. Resonance 13, 29 (1980). |
| NMR Standard | TMS Ext. |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Neat liquid |