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(2S,4aS)-2-(Phenylseleno)methylperhydro-1,3-benzoxazine

View entire compound with spectra: 1 MS (GC)

(2S,4aS)-2-(Phenylseleno)methylperhydro-1,3-benzoxazine
SpectraBase Compound ID 7hd94k2PljN
InChI InChI=1S/C18H27NOSe/c1-13-9-10-15-16(11-13)20-17(19-18(15,2)3)12-21-14-7-5-4-6-8-14/h4-8,13,15-17,19H,9-12H2,1-3H3/t13-,15-,16-,17+/m1/s1
InChIKey REKLBUVVRXTGCJ-DZUCGIPZSA-N
Mol Weight 352.39 g/mol
Molecular Formula C18H27NOSe
Exact Mass 353.125786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZDsyyKUfLE
Name (2S,4aS)-2-(Phenylseleno)methylperhydro-1,3-benzoxazine
Alternate Name(s) (2S,4aS)-4,4,7-trimethyl-2-[(phenylselanyl)methyl]octahydro-2H-1,3-benzoxazine 2-(Phenylseleno)methylperhydro-1,3-benzoxazine [(2S,4aS)-4,4,7-trimethyloctahydro-2H-1,3-benzoxazin-2-yl]methyl phenyl selenide
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Formula C18H27NOSe
InChI InChI=1S/C18H27NOSe/c1-13-9-10-15-16(11-13)20-17(19-18(15,2)3)12-21-14-7-5-4-6-8-14/h4-8,13,15-17,19H,9-12H2,1-3H3/t13-,15-,16-,17+/m1/s1
InChIKey REKLBUVVRXTGCJ-DZUCGIPZSA-N
Molecular Weight 352.392 g/mol
SMILES N1[C@@](O[C@]2([C@](C1(C)C)(CC[C@](C2)(C)[H])[H])[H])(C[Se]c1ccccc1)[H]
SPLASH splash10-001i-1900000000-7a065f1dbac072137db6
Source of Spectrum J-64-4276-2
Wiley ID 1530378