| SpectraBase Spectrum ID |
rO3Oe2mc94 |
| Name |
3-(3,4-Methylenedioxyphenyl)cyclohexene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.099379689 u |
| Formula |
C13H14O2 |
| InChI |
InChI=1S/C13H14O2/c1-2-4-10(5-3-1)11-6-7-12-13(8-11)15-9-14-12/h2,4,6-8,10H,1,3,5,9H2 |
| InChIKey |
YACACAPXWMDQNU-UHFFFAOYSA-N |
| Molecular Weight |
202.253 g/mol |
| SMILES |
C1=CC(CCC1)C=1C=C2C(=CC1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956275 |
