| SpectraBase Spectrum ID |
FZqQYk3LKnh |
| Name |
N-{p-[(1-Adamantyl)oxy]phenyl}-N-methyloctylamine, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.279842611 u |
| Formula |
C25H40ClNO |
| InChI |
InChI=1S/C25H39NO.ClH/c1-3-4-5-6-7-8-13-26(2)23-9-11-24(12-10-23)27-25-17-20-14-21(18-25)16-22(15-20)19-25;/h9-12,20-22H,3-8,13-19H2,1-2H3;1H/t20-,21+,22-,25-; |
| InChIKey |
NAMWBXVUEXCETJ-GSIXUGOZSA-N |
| Molecular Weight |
406.054 g/mol |
| SMILES |
C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])OC=1C=CC(=CC1)N(CCCCCCCC)C)[H].Cl |
| Spectrum/Structure Validation Score (Raman) |
0.794934 |
![N-{p-[(1-adamantyl)oxy]phenyl}-N-methyloctylamine, hydrochloride](/api/spectrum/FZqQYk3LKnh/structure.png?h=300&w=458 "N-{p-[(1-adamantyl)oxy]phenyl}-N-methyloctylamine, hydrochloride")
