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14-Debromo-prearaplysillin I

View entire compound with spectra: 1 MS (GC)

14-Debromo-prearaplysillin I
SpectraBase Compound ID 6mO9gxLFauv
InChI InChI=1S/C21H24Br3N3O4/c1-30-20-16(23)10-14(11-17(20)24)12-18(27-29)21(28)26-7-2-8-31-19-4-3-13(5-6-25)9-15(19)22/h3-4,9-11,29H,2,5-8,12,25H2,1H3,(H,26,28)/b27-18+
InChIKey DJJKDYYBOSZKDA-OVVQPSECSA-N
Mol Weight 622.15 g/mol
Molecular Formula C21H24Br3N3O4
Exact Mass 618.931695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CKy5AaKCnU
Name 14-Debromo-prearaplysillin I
Alternate Name(s) 7-[2'-Bromo-4'-(.beta.-aminoethyl)phenoxy]-11-[3'',5''-dibromo-4''-methoxyphenyl]-2-(hydroxyimino0-3-oxo-4-aza-heptane (2E)-N-[3-[4-(2-aminoethyl)-2-bromophenoxy]propyl]-3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxyiminopropanamide (2E)-N-[3-[4-(2-aminoethyl)-2-bromo-phenoxy]propyl]-3-(3,5-dibromo-4-methoxy-phenyl)-2-hydroxyimino-propanamide (2E)-N-[3-[4-(2-azanylethyl)-2-bromanyl-phenoxy]propyl]-3-[3,5-bis(bromanyl)-4-methoxy-phenyl]-2-hydroxyimino-propanamide
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Formula C21H24Br3N3O4
InChI InChI=1S/C21H24Br3N3O4/c1-30-20-16(23)10-14(11-17(20)24)12-18(27-29)21(28)26-7-2-8-31-19-4-3-13(5-6-25)9-15(19)22/h3-4,9-11,29H,2,5-8,12,25H2,1H3,(H,26,28)/b27-18+
InChIKey DJJKDYYBOSZKDA-OVVQPSECSA-N
Molecular Weight 622.152 g/mol
SMILES N(C(\C(=N\O)Cc1cc(Br)c(c(c1)Br)OC)=O)CCCOc1ccc(CCN)cc1Br
SPLASH splash10-0a5i-0934300000-31e821e6ff8423f206e6
Source of Spectrum X2-54-1139-2
Wiley ID 1604167