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(3S,4R,6E)-3,4,7,11-tetramethyldodeca-6,10-dienal

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

(3S,4R,6E)-3,4,7,11-tetramethyldodeca-6,10-dienal
SpectraBase Compound ID 96fkF4mVmSB
InChI InChI=1S/C16H28O/c1-13(2)7-6-8-14(3)9-10-15(4)16(5)11-12-17/h7,9,12,15-16H,6,8,10-11H2,1-5H3/b14-9+/t15-,16+/m1/s1
InChIKey NEXRYLFKZCYFFB-MMJTVPDGSA-N
Mol Weight 236.4 g/mol
Molecular Formula C16H28O
Exact Mass 236.214016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KTnVF41vWYT
Name (3S,4R,6E)-3,4,7,11-Tetramethyldodeca-6,10-dienal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.214015521 u
Formula C16H28O
InChI InChI=1S/C16H28O/c1-13(2)7-6-8-14(3)9-10-15(4)16(5)11-12-17/h7,9,12,15-16H,6,8,10-11H2,1-5H3/b14-9+/t15-,16+/m1/s1
InChIKey NEXRYLFKZCYFFB-MMJTVPDGSA-N
Molecular Weight 236.399 g/mol
SMILES C(\C(=C\C[C@]([C@](CC=O)(C)[H])(C)[H])C)CC=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958638