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{{6-[(3',5'-Dinitrobenzoylamino)]methyl]cyclohex-3-en-1-yl}methyl 3,5-dinitrobenzoate
SpectraBase Compound ID 3i7EyVv3pKv
InChI InChI=1S/C22H19N5O11/c28-21(15-5-17(24(30)31)9-18(6-15)25(32)33)23-11-13-3-1-2-4-14(13)12-38-22(29)16-7-19(26(34)35)10-20(8-16)27(36)37/h1-2,5-10,13-14H,3-4,11-12H2,(H,23,28)
InChIKey SWIFKLOSICMTGT-UHFFFAOYSA-N
Mol Weight 529.42 g/mol
Molecular Formula C22H19N5O11
Exact Mass 529.108106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1djjx2AxvM
Name {{6-[(3',5'-Dinitrobenzoylamino)]methyl]cyclohex-3-en-1-yl}methyl 3,5-dinitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N5O11
InChI InChI=1S/C22H19N5O11/c28-21(15-5-17(24(30)31)9-18(6-15)25(32)33)23-11-13-3-1-2-4-14(13)12-38-22(29)16-7-19(26(34)35)10-20(8-16)27(36)37/h1-2,5-10,13-14H,3-4,11-12H2,(H,23,28)
InChIKey SWIFKLOSICMTGT-UHFFFAOYSA-N
Molecular Weight 529.418 g/mol
SMILES N(C(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)CC1C(COC(c2cc(N(=O)=O)cc(N(=O)=O)c2)=O)CC=CC1
SPLASH splash10-002f-9200000000-350d5650e9a0c507a9a8
Source of Spectrum H-79-891-0
Synonyms (6-{[(3,5-dinitrobenzoyl)amino]methyl}-3-cyclohexen-1-yl)methyl 3,5-dinitrobenzoate
Wiley ID 1403182