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Tricyclo-[22.2.2.2(11,14)]-triaconta-11,13,24,26,27,29-hexaene

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

Tricyclo-[22.2.2.2(11,14)]-triaconta-11,13,24,26,27,29-hexaene
SpectraBase Compound ID CnXVjpRQteP
InChI InChI=1S/C30H44/c1-3-7-11-15-27-19-23-29(24-20-27)17-13-9-5-2-6-10-14-18-30-25-21-28(22-26-30)16-12-8-4-1/h19-26H,1-18H2
InChIKey IVAGMHTZOHAUFV-UHFFFAOYSA-N
Mol Weight 404.7 g/mol
Molecular Formula C30H44
Exact Mass 404.344301 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EMCJxZB4VUv
Name Tricyclo-[22.2.2.2(11,14)]-triaconta-11,13,24,26,27,29-hexaene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.344301417 u
Formula C30H44
InChI InChI=1S/C30H44/c1-3-7-11-15-27-19-23-29(24-20-27)17-13-9-5-2-6-10-14-18-30-25-21-28(22-26-30)16-12-8-4-1/h19-26H,1-18H2
InChIKey IVAGMHTZOHAUFV-UHFFFAOYSA-N
Molecular Weight 404.682 g/mol
SMILES C=1C=2CCCCCCCCCC3=CC=C(C=C3)CCCCCCCCCC(=CC2)C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928194