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2-Dodecenoic acid, 3-methyl-, (E)-

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

2-Dodecenoic acid, 3-methyl-, (E)-
SpectraBase Compound ID 3CBHSimta53
InChI InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-12(2)11-13(14)15/h11H,3-10H2,1-2H3,(H,14,15)/b12-11+
InChIKey YKUOQEJKIPNUEA-VAWYXSNFSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 92uiqYoH8hz
Name 2-Dodecenoic acid, 3-methyl-, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.177630011 u
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-12(2)11-13(14)15/h11H,3-10H2,1-2H3,(H,14,15)/b12-11+
InChIKey YKUOQEJKIPNUEA-VAWYXSNFSA-N
Molecular Weight 212.333 g/mol
SMILES C(\C=C\(CCCCCCCCC)C)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968939