![Trans-N-[(2-phenyl-1-cyclopropyl)methyl]dibutylamine, hydrochloride](/api/spectrum/5rDyVnImal0/structure.png?h=300&w=458 "Trans-N-[(2-phenyl-1-cyclopropyl)methyl]dibutylamine, hydrochloride")
| SpectraBase Compound ID | KdHabCLnxBa |
|---|---|
| InChI | InChI=1S/C18H29N.ClH/c1-3-5-12-19(13-6-4-2)15-17-14-18(17)16-10-8-7-9-11-16;/h7-11,17-18H,3-6,12-15H2,1-2H3;1H/t17-,18-;/m0./s1 InChI=1S/C18H29N.ClH/c1-3-5-12-19(13-6-4-2)15-17-14-18(17)16-10-8-7-9-11-16;/h7-11,17-18H,3-6,12-15H2,1-2H3;1H/t17-,18-;/m1./s1 |
| InChIKey | IUVFHAOQPDEJIK-APTPAJQOSA-N |
| Mol Weight | 295.9 g/mol |
| Molecular Formula | C18H30ClN |
| Exact Mass | 295.206678 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5rDyVnImal0 |
|---|---|
| Name | Trans-N-[(2-phenyl-1-cyclopropyl)methyl]dibutylamine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.206677670 u |
| Formula | C18H30ClN |
| InChI | InChI=1S/C18H29N.ClH/c1-3-5-12-19(13-6-4-2)15-17-14-18(17)16-10-8-7-9-11-16;/h7-11,17-18H,3-6,12-15H2,1-2H3;1H/t17-,18-;/m0./s1 |
| InChIKey | IUVFHAOQPDEJIK-APTPAJQOSA-N |
| Molecular Weight | 295.898 g/mol |
| SMILES | Cl.CCCCN(C[C@]1([C@](C=2C=CC=CC2)(C1)[H])[H])CCCC |
| Spectrum/Structure Validation Score (Raman) | 0.918781 |