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[8.o]-Meta-cyclophane

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

[8.o]-Meta-cyclophane
SpectraBase Compound ID 9Yj3L83aN46
InChI InChI=1S/C22H30O2/c1-23-21-15-11-19(12-16-21)9-7-5-3-4-6-8-10-20-13-17-22(24-2)18-14-20/h11-18H,3-10H2,1-2H3
InChIKey MBDRZYUDWRMBEZ-UHFFFAOYSA-N
Mol Weight 326.48 g/mol
Molecular Formula C22H30O2
Exact Mass 326.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C8zITIpWHsr
Name [8.o]-Meta-cyclophane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.224580204 u
Formula C22H30O2
InChI InChI=1S/C22H30O2/c1-23-21-15-11-19(12-16-21)9-7-5-3-4-6-8-10-20-13-17-22(24-2)18-14-20/h11-18H,3-10H2,1-2H3
InChIKey MBDRZYUDWRMBEZ-UHFFFAOYSA-N
Molecular Weight 326.480 g/mol
SMILES C=1(C=CC(CCCCCCCCC2=CC=C(C=C2)OC)=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876239