| SpectraBase Compound ID | 73gHVRjMyQ9 |
|---|---|
| InChI | InChI=1S/C21H13Br2N5O2/c22-14-6-4-12(5-7-14)18-19(28(29)30)17(13-2-1-3-15(23)8-13)16(9-24)20(27)21(18,10-25)11-26/h1-8,17-19H,27H2/t17-,18+,19-/m0/s1 |
| InChIKey | XXIPVQDUKGFCBF-OTWHNJEPSA-N |
| Mol Weight | 527.18 g/mol |
| Molecular Formula | C21H13Br2N5O2 |
| Exact Mass | 524.943601 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 82QgBfQIXpT |
|---|---|
| Name | Cpd. 4g-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H13Br2N5O2 |
| InChI | InChI=1S/C21H13Br2N5O2/c22-14-6-4-12(5-7-14)18-19(28(29)30)17(13-2-1-3-15(23)8-13)16(9-24)20(27)21(18,10-25)11-26/h1-8,17-19H,27H2/t17-,18+,19-/m0/s1 |
| InChIKey | XXIPVQDUKGFCBF-OTWHNJEPSA-N |
| Molecular Weight | 527.176 g/mol |
| SMILES | NC1=C(C#N)[C@@]([C@@]([C@](C1(C#N)C#N)(c1ccc(cc1)Br)[H])(N(=O)=O)[H])(c1cc(Br)ccc1)[H] |
| SPLASH | splash10-0fss-0092310000-4ddfab4b9e598cc2e75f |
| Source of Spectrum | F5-6-3620-4g-1 |
| Synonyms | (4S,5S,6S)-2-Amino-4-(3-bromo-phenyl)-6-(4-bromo-phenyl)-5-nitro-cyclohex-2-ene-1,1,3-tricarbonitrile 1-Amino-2,6,6-tricyano-3,5-bis(3'-bromophenyl)-4-nitrocyclohex-1-ene (1'S,2'S,3'S)-5'-amino-3,4''-dibromo-2'-nitro-2',3'-dihydro-[1,1':3',1''-terphenyl]-4',4',6'(1'H)-tricarbonitrile |
| Wiley ID | 1733680 |