| SpectraBase Spectrum ID |
Afzts0YvVA |
| Name |
3-Benzylideneheptane-2,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.115029753 u |
| Formula |
C14H16O2 |
| InChI |
InChI=1S/C14H16O2/c1-11(15)8-9-14(12(2)16)10-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3/b14-10- |
| InChIKey |
RRQUOUOBOXWUSD-UVTDQMKNSA-N |
| Molecular Weight |
216.280 g/mol |
| SMILES |
C=1(\C=C/(C(=O)C)CCC(=O)C)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989345 |
