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Geranyl citronellate

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

Geranyl citronellate
SpectraBase Compound ID 4BrdKcphL9k
InChI InChI=1S/C20H34O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h9-10,13,19H,7-8,11-12,14-15H2,1-6H3/b18-13+
InChIKey DQNDYKIKXIXVJN-QGOAFFKASA-N
Mol Weight 306.5 g/mol
Molecular Formula C20H34O2
Exact Mass 306.25588 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3o9cstHrMkS
Name Geranyl citronellate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.255880333 u
Formula C20H34O2
InChI InChI=1S/C20H34O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h9-10,13,19H,7-8,11-12,14-15H2,1-6H3/b18-13+
InChIKey DQNDYKIKXIXVJN-QGOAFFKASA-N
SMILES C(CC(CCC=C(C)C)C)(=O)OC\C=C\(CCC=C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928263