| SpectraBase Compound ID | BtxjiRO4U2k |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-10(2)12-9-11(5-4-8-14)6-7-13(12)15-3/h6-10H,4-5H2,1-3H3 |
| InChIKey | KEYRBMADHXPLDO-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 | IAA2HT5y9Y4 |
|---|---|
| Name | 3-Isopropyl-4-methoxyphenylpropanal |
| 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/c1-10(2)12-9-11(5-4-8-14)6-7-13(12)15-3/h6-10H,4-5H2,1-3H3 |
| InChIKey | KEYRBMADHXPLDO-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C=1(C(=CC=C(C1)CCC=O)OC)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86734 |