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SpectraBase Compound ID | 2HlaiJ13AOo |
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InChI | InChI=1S/C27H41N3.BrH/c1-5-13-22(14-6-1)26(28-23-15-7-2-8-16-23)21-27(29-24-17-9-3-10-18-24)30-25-19-11-4-12-20-25;/h1,5-6,13-14,21,23-25,28H,2-4,7-12,15-20H2,(H,29,30);1H/b26-21+; |
InChIKey | WREPOSPEVJMZJM-HCPJHKKFSA-N |
Mol Weight | 488.6 g/mol |
Molecular Formula | C27H42BrN3 |
Exact Mass | 487.256211 g/mol |
SpectraBase Spectrum ID | Fu4kfVYxE9C |
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Name | N-[1,3-Bis(cyclohexylamino)-3-phenylprop-2-enylidene]cyclohexanaminium bromide |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C27H42BrN3 |
InChI | InChI=1S/C27H41N3.BrH/c1-5-13-22(14-6-1)26(28-23-15-7-2-8-16-23)21-27(29-24-17-9-3-10-18-24)30-25-19-11-4-12-20-25;/h1,5-6,13-14,21,23-25,28H,2-4,7-12,15-20H2,(H,29,30);1H/b26-21+; |
InChIKey | WREPOSPEVJMZJM-HCPJHKKFSA-N |
Molecular Weight | 488.558 g/mol |
SMILES | [Br-].[NH+](=C(\C=C\(NC1CCCCC1)c1ccccc1)NC1CCCCC1)C1CCCCC1 |
SPLASH | splash10-0a4i-9402000000-9e3726003cfa5120375f |
Source of Spectrum | U1-2010-308-5o |
Wiley ID | 1663733 |