| SpectraBase Spectrum ID |
BfSKhC9ZR7X |
| Name |
(3Z)-3-(Phenylmethylene)-2-octanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.151415263 u |
| Formula |
C15H20O |
| InChI |
InChI=1S/C15H20O/c1-3-4-6-11-15(13(2)16)12-14-9-7-5-8-10-14/h5,7-10,12H,3-4,6,11H2,1-2H3/b15-12- |
| InChIKey |
AEKMJNFNQGGLDT-QINSGFPZSA-N |
| Molecular Weight |
216.324 g/mol |
| SMILES |
C1(\C=C/(C(=O)C)CCCCC)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971892 |
