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1-[(1R)-1-(2-Hydroxyethyl)hexyl]-2-piperidinone
SpectraBase Compound ID 9x7Qz0PCwD0
InChI InChI=1S/C13H25NO2/c1-2-3-4-7-12(9-11-15)14-10-6-5-8-13(14)16/h12,15H,2-11H2,1H3/t12-/m1/s1
InChIKey IUEBVIXBQROFLS-GFCCVEGCSA-N
Mol Weight 227.35 g/mol
Molecular Formula C13H25NO2
Exact Mass 227.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xOSIB9jqUc
Name 1-[(1R)-1-(2-Hydroxyethyl)hexyl]-2-piperidinone
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H25NO2
InChI InChI=1S/C13H25NO2/c1-2-3-4-7-12(9-11-15)14-10-6-5-8-13(14)16/h12,15H,2-11H2,1H3/t12-/m1/s1
InChIKey IUEBVIXBQROFLS-GFCCVEGCSA-N
Instrument Name VG 70 SEQ
Ionization Type EI
Literature Reference DOI 10.1186/1860-5397-4-5
Molecular Weight 227.348 g/mol
Optical Rotation [a]D24 = +40.8 (c = 1.20, absolute EtOH)
SMILES OCC[C@](N1C(CCCC1)=O)(CCCCC)[H]
SPLASH splash10-0a7i-0900000000-d745e655c753300daf36
Source of Spectrum BJO-4-SM9-35
Thin-Layer Chromatography Rf = 0.13 (EtOAc-hexane, 80%)
Wiley ID 1871525