| SpectraBase Spectrum ID |
edhlvWCmjc |
| Name |
3-Pentyl-4,5-dihydroisobenzofuran-1(3H)-one |
| 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/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h6,8,12H,2-5,7,9H2,1H3 |
| InChIKey |
LSRBNNXNGNVZQN-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
C1(OC(CCCCC)C2=C1C=CCC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89009 |
