| SpectraBase Spectrum ID |
3Vg7PfN1La5 |
| Name |
Adamantane-1-carboxylic acid, o-tolylamide |
| 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/c1-12-4-2-3-5-16(12)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)/t13-,14+,15-,18- |
| InChIKey |
LORYVZHISCCOSW-OVMOHIIOSA-N |
| SMILES |
C12(C(NC3=C(C)C=CC=C3)=O)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884487 |
