| SpectraBase Spectrum ID |
EWXOtz2F7SE |
| Name |
p-(Adamantyl-1)nitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.141578854 u |
| Formula |
C16H19NO2 |
| InChI |
InChI=1S/C16H19NO2/c18-17(19)15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2/t11-,12+,13-,16- |
| InChIKey |
KGJYJYQWAMPKER-WTHWONHRSA-N |
| Molecular Weight |
257.333 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(C=C1)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858675 |
