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4-(2-amino-1H-imidazol-5-yl)-2,3-dibromo-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one
SpectraBase Compound ID 9oXF2XFwTsI
InChI InChI=1S/C11H9Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h1,3,18H,2H2,(H,15,19)(H3,14,16,17)
InChIKey ZNIBKSGUBSYKLY-UHFFFAOYSA-N
Mol Weight 387.04 g/mol
Molecular Formula C11H9Br2N5O
Exact Mass 384.917386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bl3kW6DKjGW
Name 4-(2-amino-1H-imidazol-5-yl)-2,3-dibromo-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one
CAS Registry Number 99102-22-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9Br2N5O
InChI InChI=1S/C11H9Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h1,3,18H,2H2,(H,15,19)(H3,14,16,17)
InChIKey ZNIBKSGUBSYKLY-UHFFFAOYSA-N
Molecular Weight 387.035 g/mol
SMILES [nH]1c(c(c2C(c3c[nH]c(n3)N)=CCNC(c12)=O)Br)Br
SPLASH splash10-004i-9008000000-a38934ddaaf7ca31833f
Source of Spectrum F-41-6032-22
Synonyms 4-(2-amino-1H-imidazol-5-yl)-2,3-dibromo-6,7-dihydro-1H-pyrrol[2,3-c]azepin-8-one 4-(2-azanyl-1H-imidazol-5-yl)-2,3-bis(bromanyl)-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one Stevensine
Wiley ID 1362069