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2,4-Octadienoic acid, 8-hydroxy-6-methyl-, (E,E)-
SpectraBase Compound ID J4P6wZKWJLX
InChI InChI=1S/C9H14O3/c1-8(6-7-10)4-2-3-5-9(11)12/h2-5,8,10H,6-7H2,1H3,(H,11,12)/b4-2+,5-3+/t8-/m0/s1
InChIKey KFHQGKGXRZPBOB-HKQWHQQWSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnR8ucEKoMv
Name 2,4-Octadienoic acid, 8-hydroxy-6-methyl-, (E,E)-
CAS Registry Number 113592-82-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-8(6-7-10)4-2-3-5-9(11)12/h2-5,8,10H,6-7H2,1H3,(H,11,12)/b4-2+,5-3+/t8-/m0/s1
InChIKey KFHQGKGXRZPBOB-HKQWHQQWSA-N
Molecular Weight 170.208 g/mol
SMILES OCC[C@](\C=C\C=C\C(=O)O)(C)[H]
SPLASH splash10-054n-9200000000-f237d90d031e01ffcb67
Source of Spectrum H-71-60-2
Wiley ID 1166596