SpectraBase Compound ID | JLNR1HlGFmh |
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InChI | InChI=1S/C24H33N/c1-21(24-15-9-4-10-16-24)17-18-25(19-22-11-5-2-6-12-22)20-23-13-7-3-8-14-23/h2,4-6,9-12,15-16,21,23H,3,7-8,13-14,17-20H2,1H3 |
InChIKey | CBIFYUSMHOVJEQ-UHFFFAOYSA-N |
Mol Weight | 335.5 g/mol |
Molecular Formula | C24H33N |
Exact Mass | 335.2613 g/mol |
SpectraBase Spectrum ID | ELyg8CMZsNZ |
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Name | Benzyl(cyclohexylmethyl)(3-phenylbutyl)amine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 335.261300067 u |
Formula | C24H33N |
InChI | InChI=1S/C24H33N/c1-21(24-15-9-4-10-16-24)17-18-25(19-22-11-5-2-6-12-22)20-23-13-7-3-8-14-23/h2,4-6,9-12,15-16,21,23H,3,7-8,13-14,17-20H2,1H3 |
InChIKey | CBIFYUSMHOVJEQ-UHFFFAOYSA-N |
Molecular Weight | 335.535 g/mol |
SMILES | C(N(CC1CCCCC1)CCC(C=1C=CC=CC1)C)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946376 |