| SpectraBase Spectrum ID |
4J3H8nrHwAM |
| Name |
1-[3,4-(Methylenedioxy)phenyl]-3-[2-hydroxyethyl]cyclohex-1-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.125594437 u |
| Formula |
C15H18O3 |
| InChI |
InChI=1S/C15H18O3/c16-7-6-11-2-1-3-12(8-11)13-4-5-14-15(9-13)18-10-17-14/h4-5,8-9,11,16H,1-3,6-7,10H2 |
| InChIKey |
JUYWDTQVPRHJRK-UHFFFAOYSA-N |
| Molecular Weight |
246.306 g/mol |
| SMILES |
C1(=CC(CCO)CCC1)C=1C=C2OCOC2=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942348 |