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9-Bromoisocolchicide
SpectraBase Compound ID CkDMsIwj2V0
InChI InChI=1S/C21H22BrNO5/c1-11(24)23-16-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-17(25)15(22)10-14(13)16/h6,8-10,16H,5,7H2,1-4H3,(H,23,24)/t16-/m0/s1
InChIKey LMQGKORLJBGXHG-INIZCTEOSA-N
Mol Weight 448.31 g/mol
Molecular Formula C21H22BrNO5
Exact Mass 447.068136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84mQnLeXOng
Name 9-Bromoisocolchicide
Alternate Name(s) N-[(7S)-9-bromo-1,2,3-trimethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide N-[(7S)-9-bromanyl-1,2,3-trimethoxy-10-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide
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Formula C21H22BrNO5
InChI InChI=1S/C21H22BrNO5/c1-11(24)23-16-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-17(25)15(22)10-14(13)16/h6,8-10,16H,5,7H2,1-4H3,(H,23,24)/t16-/m0/s1
InChIKey LMQGKORLJBGXHG-INIZCTEOSA-N
Molecular Weight 448.313 g/mol
SMILES N([C@@]1(C2=C(c3c(c(OC)c(cc3CC1)OC)OC)C=CC(=O)C(=C2)Br)[H])C(=O)C
SPLASH splash10-00r2-0001900000-3a0acbf4901fab158b35
Source of Spectrum SK-27-3411-8
Wiley ID 868035