| SpectraBase Spectrum ID |
6vLAzfagv16 |
| Name |
2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.130679818 u |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c1-3-4-5-6-7-13(15)12-10-11(2)8-9-14(12)16/h6-10,16H,3-5H2,1-2H3/b7-6+ |
| InChIKey |
CRDXXGUXEQKWAL-VOTSOKGWSA-N |
| Molecular Weight |
218.296 g/mol |
| SMILES |
C(\C=C\CCCC)(=O)C1=C(O)C=CC(=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988531 |
