| SpectraBase Compound ID | 1JlmcxbnphK |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9(2)8-11(12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14) |
| InChIKey | DHURPAIUOZIQDQ-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AYBl9aiwYqO |
|---|---|
| Name | 4-Methyl-2-phenylpentanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-9(2)8-11(12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14) |
| InChIKey | DHURPAIUOZIQDQ-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | CC(C)CC(C(=O)O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949855 |