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3,8-Di-tert-butylcycloocta-1,3,5-triene

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3,8-Di-tert-butylcycloocta-1,3,5-triene
SpectraBase Compound ID GGalVFRZyE8
InChI InChI=1S/C16H26/c1-15(2,3)13-9-7-8-10-14(12-11-13)16(4,5)6/h7-9,11-12,14H,10H2,1-6H3/b8-7-,12-11-,13-9+
InChIKey NOURZANLMZATHR-NMGPZRNKSA-N
Mol Weight 218.38 g/mol
Molecular Formula C16H26
Exact Mass 218.203451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1NA0mhoIB5N
Name 3,8-di-Tert-butylcycloocta-1,3,5-triene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.203450837 u
Formula C16H26
InChI InChI=1S/C16H26/c1-15(2,3)13-9-7-8-10-14(12-11-13)16(4,5)6/h7-9,11-12,14H,10H2,1-6H3/b8-7-,12-11-,13-9+
InChIKey NOURZANLMZATHR-NMGPZRNKSA-N
Molecular Weight 218.384 g/mol
SMILES C1(\C=C/C(=C\C=C/C1)C(C)(C)C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979484