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5,7,7-Trimethyl-3-[(1E)-prop-1-en-1-yl]octanal

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

5,7,7-Trimethyl-3-[(1E)-prop-1-en-1-yl]octanal
SpectraBase Compound ID LUatWixPNVE
InChI InChI=1S/C14H26O/c1-6-7-13(8-9-15)10-12(2)11-14(3,4)5/h6-7,9,12-13H,8,10-11H2,1-5H3/b7-6+
InChIKey SLVMCXLEHJEVOV-VOTSOKGWSA-N
Mol Weight 210.36 g/mol
Molecular Formula C14H26O
Exact Mass 210.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 50BV4HCxBWR
Name 5,7,7-Trimethyl-3-[(1E)-prop-1-en-1-yl]octanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.198365456 u
Formula C14H26O
InChI InChI=1S/C14H26O/c1-6-7-13(8-9-15)10-12(2)11-14(3,4)5/h6-7,9,12-13H,8,10-11H2,1-5H3/b7-6+
InChIKey SLVMCXLEHJEVOV-VOTSOKGWSA-N
Molecular Weight 210.361 g/mol
SMILES C(CC(CC(CC(C)(C)C)C)\C=C\C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952721