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1,3,5,7-Tetra-tert-butylcyclooctatetraene

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

1,3,5,7-Tetra-tert-butylcyclooctatetraene
SpectraBase Compound ID 1whs26vo21Z
InChI InChI=1S/C24H40/c1-21(2,3)17-13-18(22(4,5)6)15-20(24(10,11)12)16-19(14-17)23(7,8)9/h13-16H,1-12H3/b17-13+,17-14+,18-13+,18-15+,19-14+,19-16+,20-15+,20-16+
InChIKey MZOKJNWVASRQSV-VJKWWKQNSA-N
Mol Weight 328.6 g/mol
Molecular Formula C24H40
Exact Mass 328.313001 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2J1iYHKjA7O
Name 1,3,5,7-Tetra-tert-butylcyclooctatetraene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.313001288 u
Formula C24H40
InChI InChI=1S/C24H40/c1-21(2,3)17-13-18(22(4,5)6)15-20(24(10,11)12)16-19(14-17)23(7,8)9/h13-16H,1-12H3/b17-13+,17-14+,18-13+,18-15+,19-14+,19-16+,20-15+,20-16+
InChIKey MZOKJNWVASRQSV-VJKWWKQNSA-N
Molecular Weight 328.584 g/mol
SMILES C(\C=1\C=C/(\C=C/(\C=C/(C/1)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972462