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5-([(E)-(5-Bromo-2-thienyl)methylidene]amino)-2,3-dihydro-1,4-phthalazinedione
SpectraBase Compound ID SNxxyAHElY
InChI InChI=1S/C13H8BrN3O2S/c14-10-5-4-7(20-10)6-15-9-3-1-2-8-11(9)13(19)17-16-12(8)18/h1-6H,(H,16,18)(H,17,19)/b15-6+
InChIKey TWVJIWQCPIAKGH-GIDUJCDVSA-N
Mol Weight 350.19 g/mol
Molecular Formula C13H8BrN3O2S
Exact Mass 348.952061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvVRcMvckho
Name 5-([(E)-(5-Bromo-2-thienyl)methylidene]amino)-2,3-dihydro-1,4-phthalazinedione
CAS Registry Number 312271-75-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8BrN3O2S
InChI InChI=1S/C13H8BrN3O2S/c14-10-5-4-7(20-10)6-15-9-3-1-2-8-11(9)13(19)17-16-12(8)18/h1-6H,(H,16,18)(H,17,19)/b15-6+
InChIKey TWVJIWQCPIAKGH-GIDUJCDVSA-N
Molecular Weight 350.190 g/mol
SMILES N1C(c2c(C(N1)=O)cccc2\N=C\c1sc(cc1)Br)=O
SPLASH splash10-03xu-9600000000-f9273ab37dd92344fb6e
Source of Spectrum AD-0-2532-0
Synonyms Phthalazine-1,4(2H,3H)-dione, 5-[(5-bromo-2-thienyl)methylenamino]-
Wiley ID 1425695