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13-Acetyl[11]paracyclophane

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

13-Acetyl[11]paracyclophane
SpectraBase Compound ID CiLYWnxFdBy
InChI InChI=1S/C19H28O/c1-16(20)19-15-17-11-9-7-5-3-2-4-6-8-10-12-18(19)14-13-17/h13-15H,2-12H2,1H3
InChIKey FGEJPSUDHWNXMK-UHFFFAOYSA-N
Mol Weight 272.43 g/mol
Molecular Formula C19H28O
Exact Mass 272.214016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5i9hqIqsIG5
Name 13-Acetyl[11]paracyclophane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.214015521 u
Formula C19H28O
InChI InChI=1S/C19H28O/c1-16(20)19-15-17-11-9-7-5-3-2-4-6-8-10-12-18(19)14-13-17/h13-15H,2-12H2,1H3
InChIKey FGEJPSUDHWNXMK-UHFFFAOYSA-N
Molecular Weight 272.432 g/mol
SMILES C=1(C(=O)C)C2=CC=C(C1)CCCCCCCCCCC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881022