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(4E)-S-antazarine

View entire compound with spectra: 1 MS (GC)

(4E)-S-antazarine
SpectraBase Compound ID HUrXlc3lwVt
InChI InChI=1S/C17H25Br2NO2/c1-22-17(21)16-14(20-16)12-10-8-6-4-2-3-5-7-9-11-13-15(18)19/h10,12-13,16H,2-9,11H2,1H3/b12-10+/t16-/m0/s1
InChIKey KUIICVNFNJTIGS-TYZQSYOASA-N
Mol Weight 435.2 g/mol
Molecular Formula C17H25Br2NO2
Exact Mass 433.025205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79XvtJEBbUT
Name (4E)-S-antazarine
Alternate Name(s) Methyl (2S)-3-[(1E)-13,13-dibromotrideca-1,12-dienyl]-2H-azirine-2-carboxylate Methyl (2S)-3-[(1E)-13,13-bis(bromanyl)trideca-1,12-dienyl]-2H-azirine-2-carboxylate
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Formula C17H25Br2NO2
InChI InChI=1S/C17H25Br2NO2/c1-22-17(21)16-14(20-16)12-10-8-6-4-2-3-5-7-9-11-13-15(18)19/h10,12-13,16H,2-9,11H2,1H3/b12-10+/t16-/m0/s1
InChIKey KUIICVNFNJTIGS-TYZQSYOASA-N
Molecular Weight 435.200 g/mol
SMILES [C@]1(N=C1\C=C\CCCCCCCCCC=C(Br)Br)(C(=O)OC)[H]
SPLASH splash10-0udj-0911000000-8f8248a14ba384ba98e1
Source of Spectrum G4-58-1465-4
Wiley ID 1606040