| SpectraBase Compound ID | 7QXUhR8SbsX |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9(8-10(2)12(13)14)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,13,14)/t9-,10?/m0/s1 |
| InChIKey | SRIGPJNNJZSOPC-RGURZIINSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8DRffsCcRvk |
|---|---|
| Name | (4S)-2-Methyl-4-phenyl-pentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-9(8-10(2)12(13)14)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,13,14)/t9-,10?/m0/s1 |
| InChIKey | SRIGPJNNJZSOPC-RGURZIINSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(C(C[C@](C)(C=1C=CC=CC1)[H])C)(=O)O |