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(2R,6E)-2-Methyloctenoic Acid
SpectraBase Compound ID DZnHM8PJyxW
InChI InChI=1S/C9H16O2/c1-3-4-5-6-7-8(2)9(10)11/h3-4,8H,5-7H2,1-2H3,(H,10,11)/b4-3+/t8-/m1/s1
InChIKey FKBBGBFWNLFJEZ-MPJRPATESA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DP2Bo0d990d
Name (2R,6E)-2-Methyloctenoic Acid
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 156.115029753 u
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-3-4-5-6-7-8(2)9(10)11/h3-4,8H,5-7H2,1-2H3,(H,10,11)/b4-3+/t8-/m1/s1
InChIKey FKBBGBFWNLFJEZ-MPJRPATESA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo3026737
Molecular Weight 156.225 g/mol
Optical Rotation [a]D28 = -17 (c = 1.0, CH2Cl2)
Quality 349
SMILES OC(=O)[C@@](CCC\C=C\C)(C)[H]
SPLASH splash10-0aw9-9100000000-3fc942cca38a84931744
Source of Spectrum JOC-78-2459-16a (DOI: 10.1021/jo3026737)
Thin-Layer Chromatography 0.42 (cyclohexane/ethyl acetate/acetic acid, 100:33:1)
Wiley ID 1912371