| SpectraBase Compound ID | 42vyKg4KWgZ |
|---|---|
| InChI | InChI=1S/C23H36N2O/c26-21(24-13-22-7-15-1-16(8-22)3-17(2-15)9-22)25-14-23-10-18-4-19(11-23)6-20(5-18)12-23/h15-20H,1-14H2,(H2,24,25,26)/t15-,16+,17-,18?,19?,20?,22-,23? |
| InChIKey | JZKGUMWGVGEUPQ-YNXHJZNUSA-N |
| Mol Weight | 356.6 g/mol |
| Molecular Formula | C23H36N2O |
| Exact Mass | 356.282764 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2ek6TmfiKL2 |
|---|---|
| Name | N,N'-bis(1-Adamantylmethyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.282763786 u |
| Formula | C23H36N2O |
| InChI | InChI=1S/C23H36N2O/c26-21(24-13-22-7-15-1-16(8-22)3-17(2-15)9-22)25-14-23-10-18-4-19(11-23)6-20(5-18)12-23/h15-20H,1-14H2,(H2,24,25,26)/t15-,16+,17-,18?,19?,20?,22-,23? |
| InChIKey | JZKGUMWGVGEUPQ-YNXHJZNUSA-N |
| Molecular Weight | 356.554 g/mol |
| SMILES | C(NCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)NCC12CC3CC(CC(C3)C1)C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971917 |