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3,7-Tridecadienoic acid, 4,8,12-trimethyl-

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3,7-Tridecadienoic acid, 4,8,12-trimethyl-
SpectraBase Compound ID CSwk5dIv0hE
InChI InChI=1S/C16H28O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h9,11,13H,5-8,10,12H2,1-4H3,(H,17,18)/b14-9+,15-11+
InChIKey TYCJFHPCISQEFV-YFVJMOTDSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3eZI5oOoYdY
Name 3,7-Tridecadienoic acid, 4,8,12-trimethyl-; 4,8,12-trimethyl-3,7-tridecadienoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.208930140 u
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h9,11,13H,5-8,10,12H2,1-4H3,(H,17,18)/b14-9+,15-11+
InChIKey TYCJFHPCISQEFV-YFVJMOTDSA-N
Molecular Weight 252.398 g/mol
SMILES OC(=O)C\C=C\(CC\C=C\(CCCC(C)C)C)C