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Dragmacidin B

View entire compound with spectra: 1 MS (GC)

Dragmacidin B
SpectraBase Compound ID F1FUxZ1PUWZ
InChI InChI=1S/C22H22Br2N4/c1-27-12-22(18-10-25-19-6-4-13(23)7-16(18)19)28(2)11-21(27)17-9-26-20-8-14(24)3-5-15(17)20/h3-10,21-22,25-26H,11-12H2,1-2H3/t21-,22+/m0/s1
InChIKey ZQYDXUGKZDLQHM-FCHUYYIVSA-N
Mol Weight 502.25 g/mol
Molecular Formula C22H22Br2N4
Exact Mass 500.021123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cbht4Rs5T1n
Name Dragmacidin B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22Br2N4
InChI InChI=1S/C22H22Br2N4/c1-27-12-22(18-10-25-19-6-4-13(23)7-16(18)19)28(2)11-21(27)17-9-26-20-8-14(24)3-5-15(17)20/h3-10,21-22,25-26H,11-12H2,1-2H3/t21-,22+/m0/s1
InChIKey ZQYDXUGKZDLQHM-FCHUYYIVSA-N
Molecular Weight 502.254 g/mol
SMILES [nH]1c2c(c([C@@]3(CN([C@@](c4c[nH]c5c4cc(cc5)Br)(CN3C)[H])C)[H])c1)ccc(c2)Br
SPLASH splash10-00ds-0191000000-676819643d36acbe49f5
Source of Spectrum AT-35-374-1
Wiley ID 852750