| SpectraBase Spectrum ID |
9mSDZzXich4 |
| Name |
Adamantan-1-carboxamide, N-propyl-N-hexadecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.428365394 u |
| Formula |
C30H55NO |
| InChI |
InChI=1S/C30H55NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-31(18-4-2)29(32)30-23-26-20-27(24-30)22-28(21-26)25-30/h26-28H,3-25H2,1-2H3/t26-,27+,28-,30- |
| InChIKey |
UXDSALBSELMTCV-IXHXQMOISA-N |
| Molecular Weight |
445.776 g/mol |
| SMILES |
C(=O)(N(CCC)CCCCCCCCCCCCCCCC)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908921 |
