| SpectraBase Compound ID | BGk3YUos4OD |
|---|---|
| InChI | InChI=1S/C26H36N2/c1-2-23(27-25-11-17-4-18(12-25)6-19(5-17)13-25)10-24(3-1)28-26-14-20-7-21(15-26)9-22(8-20)16-26/h1-3,10,17-22,27-28H,4-9,11-16H2/t17-,18+,19-,20-,21+,22-,25-,26- |
| InChIKey | QWPSRANPTWMHII-VFUCSZFOSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C26H36N2 |
| Exact Mass | 376.287849 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G0kGq7ZYSFW |
|---|---|
| Name | N,N'-bis(1-Adamantyl)-1,3-benzene diamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.287849167 u |
| Formula | C26H36N2 |
| InChI | InChI=1S/C26H36N2/c1-2-23(27-25-11-17-4-18(12-25)6-19(5-17)13-25)10-24(3-1)28-26-14-20-7-21(15-26)9-22(8-20)16-26/h1-3,10,17-22,27-28H,4-9,11-16H2/t17-,18+,19-,20-,21+,22-,25-,26- |
| InChIKey | QWPSRANPTWMHII-VFUCSZFOSA-N |
| Molecular Weight | 376.588 g/mol |
| SMILES | C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])NC1=CC=CC(NC23C[C@]4(C[C@](C[C@](C4)(C3)[H])(C2)[H])[H])=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917455 |