| SpectraBase Compound ID | CO0kjTk7O5k |
|---|---|
| InChI | InChI=1S/C30H50N2O2/c1-20-21(31-32(33)34)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/b31-21+/t20-,22?,23?,24+,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | XYPXKUFIQWQEPL-VEQHTRABSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H50N2O2 |
| Exact Mass | 470.387229 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DjmG2WOWF3O |
|---|---|
| Name | D:A-Friedooleanan-3-imine, N-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.387228856 u |
| Formula | C30H50N2O2 |
| InChI | InChI=1S/C30H50N2O2/c1-20-21(31-32(33)34)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/b31-21+/t20-,22?,23?,24+,26+,27+,28-,29+,30-/m0/s1 |
| InChIKey | XYPXKUFIQWQEPL-VEQHTRABSA-N |
| Molecular Weight | 470.742 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC(C)(C)CC[C@@]3(CC2)C)[H])(CC[C@@]2(C1CC[C@@]1([C@](\C(=N\N(=O)=O)CCC21)(C)[H])C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885076 |