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2-[4'-(17"-Amino-12"-oxo-12H-11"-oxa-16"-thiacyclopenta[a]phenanthren-15"-yl)-2'-oxo-3'-butenyl]-isoindole-1,3-dione
SpectraBase Compound ID A61upeTUhbT
InChI InChI=1S/C27H16N2O5S/c28-24-22-21(19-11-9-14-5-1-2-6-16(14)23(19)34-27(22)33)20(35-24)12-10-15(30)13-29-25(31)17-7-3-4-8-18(17)26(29)32/h1-12H,13,28H2/b12-10+
InChIKey NZIXRSSDGFTITR-ZRDIBKRKSA-N
Mol Weight 480.49 g/mol
Molecular Formula C27H16N2O5S
Exact Mass 480.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ltxTZlkH6y
Name 2-[4'-(17"-Amino-12"-oxo-12H-11"-oxa-16"-thiacyclopenta[a]phenanthren-15"-yl)-2'-oxo-3'-butenyl]-isoindole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H16N2O5S
InChI InChI=1S/C27H16N2O5S/c28-24-22-21(19-11-9-14-5-1-2-6-16(14)23(19)34-27(22)33)20(35-24)12-10-15(30)13-29-25(31)17-7-3-4-8-18(17)26(29)32/h1-12H,13,28H2/b12-10+
InChIKey NZIXRSSDGFTITR-ZRDIBKRKSA-N
Molecular Weight 480.494 g/mol
SMILES Nc1sc(c-2c1C(=O)Oc1c2ccc2ccccc12)\C=C\C(CN1C(c2ccccc2C1=O)=O)=O
SPLASH splash10-00di-1139500000-fb78b69dcc7d803a322a
Source of Spectrum AJ-43-562-16
Synonyms 2-[(3E)-4-(1-amino-11-oxo-11H-benzo[h]thieno[3,4-c]chromen-3-yl)-2-oxo-3-butenyl]-1H-isoindole-1,3(2H)-dione
Wiley ID 1594033