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(Z)-2-(1-Tert-butyl-2,2-dimethylpropylidene)non-5-en-3-ynal

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

(Z)-2-(1-Tert-butyl-2,2-dimethylpropylidene)non-5-en-3-ynal
SpectraBase Compound ID 1y9VuLZkPL6
InChI InChI=1S/C18H28O/c1-8-9-10-11-12-13-15(14-19)16(17(2,3)4)18(5,6)7/h10-11,14H,8-9H2,1-7H3/b11-10-
InChIKey MMJWQHVCJAJRAI-KHPPLWFESA-N
Mol Weight 260.42 g/mol
Molecular Formula C18H28O
Exact Mass 260.214016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jb5oovBmoKI
Name (Z)-2-(1-Tert-butyl-2,2-dimethylpropylidene)non-5-en-3-ynal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.214015521 u
Formula C18H28O
InChI InChI=1S/C18H28O/c1-8-9-10-11-12-13-15(14-19)16(17(2,3)4)18(5,6)7/h10-11,14H,8-9H2,1-7H3/b11-10-
InChIKey MMJWQHVCJAJRAI-KHPPLWFESA-N
Molecular Weight 260.421 g/mol
SMILES C(=C(C#C\C=C/CCC)C=O)(C(C)(C)C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951502