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(3S,4S)-3-Methyl-4-(phenylseleno)-N-(4-heptyl)isoazolidine
SpectraBase Compound ID JZvitpCi4SX
InChI InChI=1S/C17H27NOSe/c1-4-9-15(10-5-2)18-14(3)17(13-19-18)20-16-11-7-6-8-12-16/h6-8,11-12,14-15,17H,4-5,9-10,13H2,1-3H3/t14-,17+/m0/s1
InChIKey KRMMITRVILJREM-WMLDXEAASA-N
Mol Weight 340.38 g/mol
Molecular Formula C17H27NOSe
Exact Mass 341.125786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDhTND3umyU
Name (3S,4S)-3-Methyl-4-(phenylseleno)-N-(4-heptyl)isoazolidine
Alternate Name(s) (3S,4S)-3-methyl-2-(1-propylbutyl)isoxazolidinyl phenyl selenide (3S,4S)-3-methyl-4-(phenylselanyl)-2-(1-propylbutyl)isoxazolidine 3-Methyl-4-(phenylseleno)-N-(4-heptyl)isoazolidine
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Formula C17H27NOSe
InChI InChI=1S/C17H27NOSe/c1-4-9-15(10-5-2)18-14(3)17(13-19-18)20-16-11-7-6-8-12-16/h6-8,11-12,14-15,17H,4-5,9-10,13H2,1-3H3/t14-,17+/m0/s1
InChIKey KRMMITRVILJREM-WMLDXEAASA-N
Molecular Weight 340.381 g/mol
SMILES C1ON([C@]([C@@]1([Se]c1ccccc1)[H])(C)[H])C(CCC)CCC
SPLASH splash10-052b-9230000000-b1631123948a6870340e
Source of Spectrum F-51-1283-5
Wiley ID 790737