| SpectraBase Spectrum ID |
33ibfCiqV3I |
| Name |
Adamantane-1-carboxamide, N-benzyl-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.287514814 u |
| Formula |
C25H37NO |
| InChI |
InChI=1S/C25H37NO/c1-2-3-4-5-9-12-26(19-20-10-7-6-8-11-20)24(27)25-16-21-13-22(17-25)15-23(14-21)18-25/h6-8,10-11,21-23H,2-5,9,12-19H2,1H3/t21-,22+,23-,25- |
| InChIKey |
USYSXQOKWYWQSV-TWMYTPEGSA-N |
| Molecular Weight |
367.577 g/mol |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N(CC=1C=CC=CC1)CCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921867 |
