| SpectraBase Spectrum ID |
51wVbYEi6mt |
| Name |
2 - Methoxy - 4 - (2-propenylidene)- 2,5 - cyclohexadien - 1 - one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
162.068079560 u |
| Formula |
C10H10O2 |
| InChI |
InChI=1S/C10H10O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7H,1H2,2H3/b8-4+ |
| InChIKey |
CDFKJSCCQGJMHM-XBXARRHUSA-N |
| Molecular Weight |
162.188 g/mol |
| SMILES |
C1(=C\C(=C\C=C)C=CC1=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867844 |
