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[15]-Paracyclophane-7,8-diene

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

[15]-Paracyclophane-7,8-diene
SpectraBase Compound ID AMX0JxevQOf
InChI InChI=1S/C21H30/c1-2-4-6-8-10-12-14-20-16-18-21(19-17-20)15-13-11-9-7-5-3-1/h2-3,16-19H,4-15H2
InChIKey RVRKUIADWGUYTJ-UHFFFAOYSA-N
Mol Weight 282.47 g/mol
Molecular Formula C21H30
Exact Mass 282.234751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IE74Cw82Wvy
Name [15]-Paracyclophane-7,8-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.234750966 u
Formula C21H30
InChI InChI=1S/C21H30/c1-2-4-6-8-10-12-14-20-16-18-21(19-17-20)15-13-11-9-7-5-3-1/h2-3,16-19H,4-15H2
InChIKey RVRKUIADWGUYTJ-UHFFFAOYSA-N
Molecular Weight 282.471 g/mol
SMILES C1=C=CCCCCCCC=2C=CC(CCCCCC1)=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901825