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5-Formyl[3.2]paracyclophane

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

5-Formyl[3.2]paracyclophane
SpectraBase Compound ID 3OLW0LcCJ7J
InChI InChI=1S/C18H18O/c19-13-18-12-16-9-8-15-6-4-14(5-7-15)2-1-3-17(18)11-10-16/h4-7,10-13H,1-3,8-9H2
InChIKey RFKPRQGFWNJKSJ-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C18H18O
Exact Mass 250.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EWG5Z89cLVi
Name 5-Formyl[3.2]paracyclophane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.135765199 u
Formula C18H18O
InChI InChI=1S/C18H18O/c19-13-18-12-16-9-8-15-6-4-14(5-7-15)2-1-3-17(18)11-10-16/h4-7,10-13H,1-3,8-9H2
InChIKey RFKPRQGFWNJKSJ-UHFFFAOYSA-N
Molecular Weight 250.341 g/mol
SMILES C=1(C2=CC=C(C1)CCC=1C=CC(CCC2)=CC1)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814572