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(4Z)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
SpectraBase Compound ID DMChPVWphKZ
InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
InChIKey ATBAETXFFCOZOY-DAXSKMNVSA-N
Mol Weight 324.14 g/mol
Molecular Formula C11H10BrN5O2
Exact Mass 323.001788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5CPsrCBvUT
Name (4Z)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
CAS Registry Number 82005-12-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10BrN5O2
InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
InChIKey ATBAETXFFCOZOY-DAXSKMNVSA-N
Molecular Weight 324.138 g/mol
SMILES [nH]1c(cc2\C(=C\3N=C(N)NC3=O)CCNC(c12)=O)Br
SPLASH splash10-00iu-1093000000-f2a1a5d74c9ab4ca3348
Source of Spectrum F-41-6032-3
Synonyms (4Z)-4-(2-amino-5-keto-2-imidazolin-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrol[2,3-c]azepin-8-one (4Z)-4-(2-azanyl-4-oxidanylidene-1H-imidazol-5-ylidene)-2-bromanyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one Pyrrolo(2,3-c)azepin-8(1H)-one, 4-(2-amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-, (4Z)-
Wiley ID 1322259