| SpectraBase Spectrum ID |
H9iisG2ERMx |
| Name |
1-(1,3-Dihydro-1H-inden-1-yl)-3-benzoate-2-methylpropan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.141244501 u |
| Formula |
C20H20O3 |
| InChI |
InChI=1S/C20H20O3/c1-14(13-23-20(22)16-8-3-2-4-9-16)19(21)18-12-11-15-7-5-6-10-17(15)18/h2-10,14,18H,11-13H2,1H3 |
| InChIKey |
GJNBLZAXJCIBIG-UHFFFAOYSA-N |
| Molecular Weight |
308.377 g/mol |
| SMILES |
C1(C(C(COC(=O)C=2C=CC=CC2)C)=O)C2=C(C=CC=C2)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807832 |
