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5-Hydroxy[2.2]paracyclophane-4-carbaldehyde

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

5-Hydroxy[2.2]paracyclophane-4-carbaldehyde
SpectraBase Compound ID G57AFS3L6aH
InChI InChI=1S/C17H16O2/c18-11-16-14-7-5-12-1-3-13(4-2-12)6-8-15(10-9-14)17(16)19/h1-4,9-11,19H,5-8H2
InChIKey BQGSMCIEFDPRGX-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C17H16O2
Exact Mass 252.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID x2bR3Gis6Y
Name 5-Hydroxy[2.2]paracyclophane-4-carbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.115029753 u
Formula C17H16O2
InChI InChI=1S/C17H16O2/c18-11-16-14-7-5-12-1-3-13(4-2-12)6-8-15(10-9-14)17(16)19/h1-4,9-11,19H,5-8H2
InChIKey BQGSMCIEFDPRGX-UHFFFAOYSA-N
Molecular Weight 252.313 g/mol
SMILES C1(=C(C=2CCC=3C=CC(CCC1=CC2)=CC3)O)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945774