| SpectraBase Spectrum ID |
2fBeHD0XAWM |
| Name |
Adamantane-1-carboxamide, N-[2-(3,4-dimethylphenoxy)ethyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.219829176 u |
| Formula |
C21H29NO2 |
| InChI |
InChI=1S/C21H29NO2/c1-14-3-4-19(7-15(14)2)24-6-5-22-20(23)21-11-16-8-17(12-21)10-18(9-16)13-21/h3-4,7,16-18H,5-6,8-13H2,1-2H3,(H,22,23)/t16-,17+,18-,21- |
| InChIKey |
KLPKQXHAYKJJBR-KCPQFBADSA-N |
| Molecular Weight |
327.468 g/mol |
| SMILES |
C12(C(=O)NCCOC=3C=C(C)C(=CC3)C)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947318 |
![Adamantane-1-carboxamide, N-[2-(3,4-dimethylphenoxy)ethyl]-](/api/spectrum/2fBeHD0XAWM/structure.png?h=300&w=458 "Adamantane-1-carboxamide, N-[2-(3,4-dimethylphenoxy)ethyl]-")
