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(3E)-3,4-di-tert-butylhex-3-en-2,5-dione

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

(3E)-3,4-di-tert-butylhex-3-en-2,5-dione
SpectraBase Compound ID JDGDkafp0cb
InChI InChI=1S/C14H24O2/c1-9(15)11(13(3,4)5)12(10(2)16)14(6,7)8/h1-8H3/b12-11+
InChIKey ZLSDUXYTHMJCEL-VAWYXSNFSA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 17d1lRiwRc5
Name (3E)-3,4-di-Tert-butylhex-3-en-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.177630011 u
Formula C14H24O2
InChI InChI=1S/C14H24O2/c1-9(15)11(13(3,4)5)12(10(2)16)14(6,7)8/h1-8H3/b12-11+
InChIKey ZLSDUXYTHMJCEL-VAWYXSNFSA-N
Molecular Weight 224.344 g/mol
SMILES C(\C(=C\(C(C)(C)C)C(=O)C)C(=O)C)(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978758