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1-[3,4-(Methylenedioxy)phenyl]-3-[2-hydroxyethyl]cyclohex-1-ene
SpectraBase Compound ID dvzkhblHcp
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
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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