| SpectraBase Compound ID | 2APBGrhYsrU |
|---|---|
| InChI | InChI=1S/C25H37NO/c1-3-4-6-9-19(2)26(18-20-10-7-5-8-11-20)24(27)25-15-21-12-22(16-25)14-23(13-21)17-25/h5,7-8,10-11,19,21-23H,3-4,6,9,12-18H2,1-2H3/t19?,21-,22+,23-,25- |
| InChIKey | SFZJIIHCBICUAB-IKOMKFGDSA-N |
| Mol Weight | 367.6 g/mol |
| Molecular Formula | C25H37NO |
| Exact Mass | 367.287515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IjXAmdpmHZX |
|---|---|
| Name | Adamantane-1-carboxamide, N-benzyl-N-(hept-2-yl)- |
| 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/c1-3-4-6-9-19(2)26(18-20-10-7-5-8-11-20)24(27)25-15-21-12-22(16-25)14-23(13-21)17-25/h5,7-8,10-11,19,21-23H,3-4,6,9,12-18H2,1-2H3/t19?,21-,22+,23-,25- |
| InChIKey | SFZJIIHCBICUAB-IKOMKFGDSA-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)C(CCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858702 |