| SpectraBase Spectrum ID |
4ngoqPQGGNF |
| Name |
2-Indanone |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
615-13-4 |
| ChEBI ID |
27930 |
| Comments |
Saturated 2-Indanone - Sigma-Aldrich
Solvent CDCl3, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9 H8 O |
| IUPAC Name |
1,3-dihydroinden-2-one; indan-2-one; 2-indanone |
| InChI |
InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2 |
| InChIKey |
UMJJFEIKYGFCAT-UHFFFAOYSA-N |
| KEGG Compound ID |
C07727 |
| KEGG Pathways |
PATH: ko00628 Fluorene degradation |
| PubChem Compound ID |
11983 |
| SMILES |
C1C(=O)CC2=CC=CC=C21 |
| Source File Reference |
bmse000514 |
