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(+)-(3R,6E)-3,7,11-trimethyldodeca-6,10-dienal

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

(+)-(3R,6E)-3,7,11-trimethyldodeca-6,10-dienal
SpectraBase Compound ID E4ZhJrfv5h8
InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,12,15H,5-6,8,10-11H2,1-4H3/b14-9+/t15-/m1/s1
InChIKey ITBYWGRSPHMAEE-AAWPKVBNSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cbds1kVPVpd
Name (+)-(3R,6E)-3,7,11-trimethyldodeca-6,10-dienal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.198365456 u
Formula C15H26O
InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,12,15H,5-6,8,10-11H2,1-4H3/b14-9+/t15-/m1/s1
InChIKey ITBYWGRSPHMAEE-AAWPKVBNSA-N
Molecular Weight 222.372 g/mol
SMILES C(C[C@@](CC\C=C\(CCC=C(C)C)C)(C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976668