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1,4-Di-tert-butyl-5-(dec-9-en-1-yl)cyclohexa-1,3-diene

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

1,4-Di-tert-butyl-5-(dec-9-en-1-yl)cyclohexa-1,3-diene
SpectraBase Compound ID 9OmGPL9ZJo3
InChI InChI=1S/C24H42/c1-8-9-10-11-12-13-14-15-16-20-19-21(23(2,3)4)17-18-22(20)24(5,6)7/h8,17-18,20H,1,9-16,19H2,2-7H3
InChIKey XFTKEGQFWYXVAK-UHFFFAOYSA-N
Mol Weight 330.6 g/mol
Molecular Formula C24H42
Exact Mass 330.328651 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gv2kI0TG0Yl
Name 1,4-di-Tert-butyl-5-(dec-9-en-1-yl)cyclohexa-1,3-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.328651352 u
Formula C24H42
InChI InChI=1S/C24H42/c1-8-9-10-11-12-13-14-15-16-20-19-21(23(2,3)4)17-18-22(20)24(5,6)7/h8,17-18,20H,1,9-16,19H2,2-7H3
InChIKey XFTKEGQFWYXVAK-UHFFFAOYSA-N
Molecular Weight 330.600 g/mol
SMILES C=1C=C(C(C)(C)C)C(CCCCCCCCC=C)CC1C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931326