| SpectraBase Compound ID | GdSWRYXdJ7t |
|---|---|
| InChI | InChI=1S/C23H32O4/c1-21(2)8-6-9-22(3)16(21)7-10-23(4)17(22)12-13-18(23)14(20(26)27-5)11-15(24)19(13)25/h11,16-17,24-25H,6-10,12H2,1-5H3/t16-,17+,22-,23+/m0/s1 |
| InChIKey | FFBLMLRQAKGTJN-VQDLLJBESA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C23H32O4 |
| Exact Mass | 372.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3UkzPJQPhg8 |
|---|---|
| Name | Pelorol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.230059506 u |
| Formula | C23H32O4 |
| InChI | InChI=1S/C23H32O4/c1-21(2)8-6-9-22(3)16(21)7-10-23(4)17(22)12-13-18(23)14(20(26)27-5)11-15(24)19(13)25/h11,16-17,24-25H,6-10,12H2,1-5H3/t16-,17+,22-,23+/m0/s1 |
| InChIKey | FFBLMLRQAKGTJN-VQDLLJBESA-N |
| Molecular Weight | 372.505 g/mol |
| SMILES | C=1(O)C=2C[C@]3([C@](CC[C@]4(C(CCC[C@]34C)(C)C)[H])(C)C2C(=CC1O)C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814161 |