| SpectraBase Compound ID | 8raSQgZ88mj |
|---|---|
| InChI | InChI=1S/C30H50/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22-,23-,24+,25-,27+,28-,29+,30+/m0/s1 |
| InChIKey | CMMUMPUVMQKMLU-YVPIGHQKSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C30H50 |
| Exact Mass | 410.391252 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6D02IgxunyX |
|---|---|
| Name | lup-20(29)-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.391251610 u |
| Formula | C30H50 |
| InChI | InChI=1S/C30H50/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22-,23-,24+,25-,27+,28-,29+,30+/m0/s1 |
| InChIKey | CMMUMPUVMQKMLU-YVPIGHQKSA-N |
| Molecular Weight | 410.730 g/mol |
| SMILES | [C@]12([C@]3([C@]([C@]4(CCCC([C@@]4(CC3)[H])(C)C)C)([H])CC[C@]2([C@@]2([C@](C(=C)C)(CC[C@@]2(CC1)C)[H])[H])[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88023 |