| SpectraBase Compound ID | AkKURIwn9gM |
|---|---|
| InChI | InChI=1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9-10,19-20,22,24-25,31H,11-18H2,1-8H3 |
| InChIKey | CPSHPTCUXNWYJT-UHFFFAOYSA-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 | 5Nbwu5zPMvr |
|---|---|
| Name | Ursa-9(11),12-dien-3-ol |
| 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/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9-10,19-20,22,24-25,31H,11-18H2,1-8H3 |
| InChIKey | CPSHPTCUXNWYJT-UHFFFAOYSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | CC1(C)C2CCC3(C4(C)CCC5(CCC(C(C5C4=CC=C3C2(C)CCC1O)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921209 |