| SpectraBase Compound ID | 76AJdShORsJ |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-11(2)15-13(14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3 |
| InChIKey | OFVJZRKRWNRKHY-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 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 | 4FtKnuW7x2 |
|---|---|
| Name | Isopropyl 4-phenylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-11(2)15-13(14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3 |
| InChIKey | OFVJZRKRWNRKHY-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(CCCC=1C=CC=CC1)(=O)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965312 |