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5-(N,N-Dinitro)-2-[4-(N,N-dinitro)-2-(2-amidoethenyl)benzyl]benzene 2-iodinium
SpectraBase Compound ID C4GVRPAMxKt
InChI InChI=1S/C16H12IN3O5/c17-15-9-14(20(24)25)5-2-12(15)7-10-1-4-13(19(22)23)8-11(10)3-6-16(18)21/h1-6,8-9H,7H2,(H2,18,21)/b6-3+
InChIKey UVAMVDCVSFOSOT-ZZXKWVIFSA-N
Mol Weight 453.19 g/mol
Molecular Formula C16H12IN3O5
Exact Mass 452.982165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNVHFapo2e4
Name 5-(N,N-Dinitro)-2-[4-(N,N-dinitro)-2-(2-amidoethenyl)benzyl]benzene 2-iodinium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12IN3O5
InChI InChI=1S/C16H12IN3O5/c17-15-9-14(20(24)25)5-2-12(15)7-10-1-4-13(19(22)23)8-11(10)3-6-16(18)21/h1-6,8-9H,7H2,(H2,18,21)/b6-3+
InChIKey UVAMVDCVSFOSOT-ZZXKWVIFSA-N
Molecular Weight 453.192 g/mol
SMILES NC(\C=C\c1c(Cc2ccc(N(=O)=O)cc2I)ccc(N(=O)=O)c1)=O
SPLASH splash10-000i-3090000000-d80fa67ef34e642b387b
Source of Spectrum F-56-2964-6
Synonyms 5-(nitro)-2-[4-(nitro)-2-(2-amidoethenyl)benzyl]benzene 2-iodinium
Wiley ID 856785