| SpectraBase Spectrum ID |
4XQ2phh6kTV |
| Name |
1,1-Dimethoxy-3-phenylpropane; benzene, (3,3-dimethoxypropyl)-; hydrocinnamaldehyde, dimethyl acetal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
180.115029753 u |
| Formula |
C11H16O2 |
| InChI |
InChI=1S/C11H16O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3 |
| InChIKey |
PQAOFUQAZBGCQK-UHFFFAOYSA-N |
| Molecular Weight |
180.247 g/mol |
| SMILES |
C1(=CC=CC=C1)CCC(OC)OC |
| Spectrum/Structure Validation Score (Raman) |
0.993498 |
