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3-((S)-1-Benzyl-piperidin-2-yl)-6,7-dihydro-5H-oxepin-2-one
SpectraBase Compound ID EwjCePMwRCX
InChI InChI=1S/C18H23NO2/c20-18-16(10-5-7-13-21-18)17-11-4-6-12-19(17)14-15-8-2-1-3-9-15/h1-3,8-10,17H,4-7,11-14H2/t17-/m0/s1
InChIKey UQOCCOVSMOHMMZ-KRWDZBQOSA-N
Mol Weight 285.39 g/mol
Molecular Formula C18H23NO2
Exact Mass 285.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Lfp6K6tvMs
Name 3-((S)-1-Benzyl-piperidin-2-yl)-6,7-dihydro-5H-oxepin-2-one
Alternate Name(s) 3-[(2RS)-N-Benzylpiperidin-2-yl]-6,7-dihydro-2(5H)-oxepanone 3-[(2S)-1-benzylpiperidinyl]-6,7-dihydro-2(5H)-oxepinone
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Formula C18H23NO2
InChI InChI=1S/C18H23NO2/c20-18-16(10-5-7-13-21-18)17-11-4-6-12-19(17)14-15-8-2-1-3-9-15/h1-3,8-10,17H,4-7,11-14H2/t17-/m0/s1
InChIKey UQOCCOVSMOHMMZ-KRWDZBQOSA-N
Molecular Weight 285.387 g/mol
SMILES C=1([C@]2(N(Cc3ccccc3)CCCC2)[H])C(OCCCC1)=O
SPLASH splash10-0006-4900000000-47908ef0d861e0ea0b49
Source of Spectrum K1-2004-4227-49
Wiley ID 1561678