SpectraBase Spectrum ID |
D7EcmyntVY8 |
Name |
N-(Adamantan-1-ylmethyl)-2-hydroxybenzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
285.172878983 u |
Formula |
C18H23NO2 |
InChI |
InChI=1S/C18H23NO2/c20-16-4-2-1-3-15(16)17(21)19-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2,(H,19,21)/t12-,13+,14-,18- |
InChIKey |
PXHSQBFLYIOAOJ-WXZYKRPKSA-N |
SMILES |
C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])CNC(=O)C1=CC=CC=C1O)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928767 |