| SpectraBase Compound ID | 72zTf7KqKYu |
|---|---|
| InChI | InChI=1S/C30H48O/c1-19(2)30-16-11-20(3)25(30)29(8)15-12-21-22(28(29,7)17-18-30)9-10-23-26(4,5)24(31)13-14-27(21,23)6/h9,19-21,23,25H,10-18H2,1-8H3/t20-,21-,23-,25-,27+,28+,29-,30+/m0/s1 |
| InChIKey | OUOKFSJISOOKJO-ZYAMBMTRSA-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 | AKJccQ5hKMR |
|---|---|
| Name | D:C-Friedo-madeir-7-en-3-one;isomadeiranone |
| 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)30-16-11-20(3)25(30)29(8)15-12-21-22(28(29,7)17-18-30)9-10-23-26(4,5)24(31)13-14-27(21,23)6/h9,19-21,23,25H,10-18H2,1-8H3/t20-,21-,23-,25-,27+,28+,29-,30+/m0/s1 |
| InChIKey | OUOKFSJISOOKJO-ZYAMBMTRSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | C1(=O)CC[C@]2([C@](C1(C)C)(CC=C1[C@@]2(CC[C@]2(C)[C@]1(C)CC[C@@]1([C@]2([C@@](C)(CC1)[H])[H])C(C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869723 |