| SpectraBase Compound ID | IN0E0Al3eAb |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-4-5(2)6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t5-,6+/m1/s1 |
| InChIKey | LBUDVZDSWKZABS-RITPCOANSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5FrDR0NgJ0L |
|---|---|
| Name | (2S,3R)-2,3-dimethylpentanoic acid |
| CAS Registry Number | 121651-42-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H14O2 |
| InChI | InChI=1S/C7H14O2/c1-4-5(2)6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)/t5-,6+/m1/s1 |
| InChIKey | LBUDVZDSWKZABS-RITPCOANSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | OC([C@]([C@@](CC)(C)[H])(C)[H])=O |
| SPLASH | splash10-0fk9-9500000000-e1d0afa8f2d25f8a1413 |
| Source of Spectrum | F-45-486-11 |
| Wiley ID | 1132904 |