| SpectraBase Spectrum ID |
K5V73jQviKW |
| Name |
Methyl-3-(1-oxo-2-indanyl) butanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.109944372 u |
| Formula |
C14H16O3 |
| InChI |
InChI=1S/C14H16O3/c1-9(7-13(15)17-2)12-8-10-5-3-4-6-11(10)14(12)16/h3-6,9,12H,7-8H2,1-2H3 |
| InChIKey |
NXTVWUMOYSMNLG-UHFFFAOYSA-N |
| Molecular Weight |
232.279 g/mol |
| SMILES |
C1(C(CC2=C1C=CC=C2)C(CC(=O)OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803175 |
