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(1S,9aR)-1-Bromomethyl-6,9a-dimethyl-6-phenylselanyl-hexahydro-oxazolo[3,4-a]azepine-3,5-dione
SpectraBase Compound ID ITOh1phpb09
InChI InChI=1S/C17H20BrNO3Se/c1-16-9-6-10-17(2,23-12-7-4-3-5-8-12)14(20)19(16)15(21)22-13(16)11-18/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-,16-,17?/m1/s1
InChIKey ZLWJLLVWEDFUIH-ZIAVVELASA-N
Mol Weight 445.23 g/mol
Molecular Formula C17H20BrNO3Se
Exact Mass 444.979179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kvm9i12CA4H
Name (1S,9aR)-1-Bromomethyl-6,9a-dimethyl-6-phenylselanyl-hexahydro-oxazolo[3,4-a]azepine-3,5-dione
Alternate Name(s) (1R*,9aR*)-1-Bromomethyl-6,9a-dimethyl-6-(phenylselanyl)hexahydrooxazolo[3,4-a]azepin-3,5-dione (1S,9aR)-1-(bromomethyl)-6,9a-dimethyl-6-(phenylselanyl)tetrahydro-1H-[1,3]oxazolo[3,4-a]azepine-3,5(6H)-dione
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Formula C17H20BrNO3Se
InChI InChI=1S/C17H20BrNO3Se/c1-16-9-6-10-17(2,23-12-7-4-3-5-8-12)14(20)19(16)15(21)22-13(16)11-18/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-,16-,17?/m1/s1
InChIKey ZLWJLLVWEDFUIH-ZIAVVELASA-N
Molecular Weight 445.227 g/mol
SMILES C1(N2[C@@]([C@](O1)(CBr)[H])(CCCC(C2=O)([Se]c1ccccc1)C)C)=O
SPLASH splash10-0292-1191200000-bd88e8818567e614237d
Source of Spectrum KC-0-3393-60
Wiley ID 782797