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tert-Butyl (3R)-3-(2-oxo-1-piperidinyl)octanoate
SpectraBase Compound ID 3N5WMuGaUG7
InChI InChI=1S/C17H31NO3/c1-5-6-7-10-14(13-16(20)21-17(2,3)4)18-12-9-8-11-15(18)19/h14H,5-13H2,1-4H3/t14-/m1/s1
InChIKey FTQNCJCJHATTFM-CQSZACIVSA-N
Mol Weight 297.44 g/mol
Molecular Formula C17H31NO3
Exact Mass 297.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9awVPQOCqH
Name tert-Butyl (3R)-3-(2-oxo-1-piperidinyl)octanoate
Appearance Pale yellow oil
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Formula C17H31NO3
InChI InChI=1S/C17H31NO3/c1-5-6-7-10-14(13-16(20)21-17(2,3)4)18-12-9-8-11-15(18)19/h14H,5-13H2,1-4H3/t14-/m1/s1
InChIKey FTQNCJCJHATTFM-CQSZACIVSA-N
Instrument Name VG 70 SEQ
Ionization Type EI
Literature Reference DOI 10.1186/1860-5397-4-5
Molecular Weight 297.439 g/mol
Optical Rotation [a]D25 = +10.5 (c = 1.23, absolute EtOH)
SMILES [C@](N1C(CCCC1)=O)(CCCCC)(CC(OC(C)(C)C)=O)[H]
SPLASH splash10-0pir-5930000000-2aed73687b2647abef05
Source of Spectrum BJO-4-SM4-26
Thin-Layer Chromatography Rf = 0.30 (EtOAc-hexane, 1:1)
Wiley ID 1871518