SpectraBase Spectrum ID |
2fxW4rK9Ite |
Name |
Adamantane-1-carboxamide, N-benzyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.177964364 u |
Formula |
C18H23NO |
InChI |
InChI=1S/C18H23NO/c20-17(19-12-13-4-2-1-3-5-13)18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H,19,20)/t14-,15+,16-,18- |
InChIKey |
AEGPPEKTVKFZNH-CMIRHGDUSA-N |
SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(NCC=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958419 |