| SpectraBase Compound ID | 90wWrbOEPhx |
|---|---|
| InChI | InChI=1S/C30H48O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-24H,9-12,14-18H2,1-8H3/t20-,22-,23?,24?,27-,28-,29-,30+/m1/s1 |
| InChIKey | AVHGSHJBWASVAK-CEXZXURGSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C30H48O |
| Exact Mass | 424.370516 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kf4KXh8W4O0 |
|---|---|
| Name | Fern-9(11)-ene-3.beta.-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.370516165 u |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-24H,9-12,14-18H2,1-8H3/t20-,22-,23?,24?,27-,28-,29-,30+/m1/s1 |
| InChIKey | AVHGSHJBWASVAK-CEXZXURGSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | C=12[C@@]3(C(C(C)(C)C(CC3)=O)CC[C@]2([C@]2(CC[C@]3(C([C@@]2(CC1)C)CC[C@@]3(C(C)C)[H])C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916468 |