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3,7-Dimethyloct-6-en-1-yl decanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

3,7-Dimethyloct-6-en-1-yl decanoate
SpectraBase Compound ID B0kJFcKmR2R
InChI InChI=1S/C20H38O2/c1-5-6-7-8-9-10-11-15-20(21)22-17-16-19(4)14-12-13-18(2)3/h13,19H,5-12,14-17H2,1-4H3
InChIKey XQIVXZXBZSEVKC-UHFFFAOYSA-N
Mol Weight 310.5 g/mol
Molecular Formula C20H38O2
Exact Mass 310.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DGEiAyk91qX
Name 3,7-Dimethyloct-6-en-1-yl decanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.287180462 u
Formula C20H38O2
InChI InChI=1S/C20H38O2/c1-5-6-7-8-9-10-11-15-20(21)22-17-16-19(4)14-12-13-18(2)3/h13,19H,5-12,14-17H2,1-4H3
InChIKey XQIVXZXBZSEVKC-UHFFFAOYSA-N
Molecular Weight 310.522 g/mol
SMILES C(CCCCCCCCC)(=O)OCCC(CCC=C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975896