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Trans-7-methoxy-9-methylhexadec-4-enoic acid

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

Trans-7-methoxy-9-methylhexadec-4-enoic acid
SpectraBase Compound ID LgZR3wdIsyh
InChI InChI=1S/C18H34O3/c1-4-5-6-7-9-12-16(2)15-17(21-3)13-10-8-11-14-18(19)20/h8,10,16-17H,4-7,9,11-15H2,1-3H3,(H,19,20)/b10-8+
InChIKey OJUQZRAAVSGJRO-CSKARUKUSA-N
Mol Weight 298.5 g/mol
Molecular Formula C18H34O3
Exact Mass 298.250795 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GQFdqncr0o
Name Trans-7-methoxy-9-methylhexadec-4-enoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.250794952 u
Formula C18H34O3
InChI InChI=1S/C18H34O3/c1-4-5-6-7-9-12-16(2)15-17(21-3)13-10-8-11-14-18(19)20/h8,10,16-17H,4-7,9,11-15H2,1-3H3,(H,19,20)/b10-8+
InChIKey OJUQZRAAVSGJRO-CSKARUKUSA-N
SMILES C(=O)(O)CC\C=C\CC(CC(CCCCCCC)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980467