| SpectraBase Spectrum ID |
JFaWiTJntP |
| Name |
Butanoic acid, 3-(1-methyl-3-phenylpropoxy) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-11(17-12(2)10-14(15)16)8-9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,15,16) |
| InChIKey |
AWWDTKGZXSVFAE-UHFFFAOYSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C1=CC(CCC(OC(CC(O)=O)C)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983285 |
