| SpectraBase Compound ID | 82YX1FeP3fm |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 |
| InChIKey | OQAGVSWESNCJJT-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
Near Infrared (NIR) Spectrum
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| SpectraBase Spectrum ID | 1L99pYoTZG2 |
|---|---|
| Name | Butanoic acid, 3-methyl-,methyl ester |
| Comments | Window Material: QI |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 |
| InChIKey | OQAGVSWESNCJJT-UHFFFAOYSA-N |
| Instrument Name | BRUKER IFS 88 |
| Purity | 98% |
| Sample Description | STATE=NEAT, LIQUID |
| Source of Spectrum | Prof. Buback, University of Goettingen, Germany |
| Technique | NIR |