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trans-4,8-Dimethyl-3-nonenoic acid

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 Raman

trans-4,8-Dimethyl-3-nonenoic acid
SpectraBase Compound ID 21bcbBITnww
InChI InChI=1S/C11H20O2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h7,9H,4-6,8H2,1-3H3,(H,12,13)/b10-7+
InChIKey BSQKDDQDSOQJKF-JXMROGBWSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4Kt4f1bMfCI
Name 3-Nonenoic acid, 4,8-dimethyl-, (E)-, (trans)-mixt. with 10% (Z)-, (cis)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.146329882 u
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h7,9H,4-6,8H2,1-3H3,(H,12,13)/b10-7+
InChIKey BSQKDDQDSOQJKF-JXMROGBWSA-N
Molecular Weight 184.279 g/mol
SMILES OC(C\C=C\(CCCC(C)C)C)=O
Spectrum/Structure Validation Score (Raman) 0.983575