| SpectraBase Compound ID | 6nW0L3m3aae |
|---|---|
| InChI | InChI=1S/C25H42O2/c1-16-17(15-26)23(4)12-9-20-24(5)11-7-10-22(2,3)19(24)8-13-25(20,6)21(23)14-18(16)27/h18-21,26-27H,7-15H2,1-6H3/t18-,19?,20?,21-,23?,24+,25?/m1/s1 |
| InChIKey | IAUBRZJVUUYFPL-GVZVOWPESA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C25H42O2 |
| Exact Mass | 374.318481 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EmPAx4P3WHh |
|---|---|
| Name | Scalarane diol derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.318480590 u |
| Formula | C25H42O2 |
| InChI | InChI=1S/C25H42O2/c1-16-17(15-26)23(4)12-9-20-24(5)11-7-10-22(2,3)19(24)8-13-25(20,6)21(23)14-18(16)27/h18-21,26-27H,7-15H2,1-6H3/t18-,19?,20?,21-,23?,24+,25?/m1/s1 |
| InChIKey | IAUBRZJVUUYFPL-GVZVOWPESA-N |
| Molecular Weight | 374.609 g/mol |
| SMILES | C12([C@](C3(CCC4[C@@](C3CC2)(CCCC4(C)C)C)C)(C[C@](C(=C1CO)C)(O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916262 |