| SpectraBase Compound ID | CQ09SGtptO4 |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-8-21(6)18(25-14(2)23)13-16-20(5)11-10-17(24)19(3,4)15(20)9-12-22(16,7)26-21/h8,10-11,15-16,18H,1,9,12-13H2,2-7H3/t15?,16?,18-,20-,21+,22+/m1/s1 |
| InChIKey | ZPMNAXQHRYXHRY-NHYLLIGUSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4G6hLw1BomE |
|---|---|
| Name | 12.beta.-Actoxy-3-oxo-1-en-ent-13-epi-manoyl oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.230059506 u |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-8-21(6)18(25-14(2)23)13-16-20(5)11-10-17(24)19(3,4)15(20)9-12-22(16,7)26-21/h8,10-11,15-16,18H,1,9,12-13H2,2-7H3/t15?,16?,18-,20-,21+,22+/m1/s1 |
| InChIKey | ZPMNAXQHRYXHRY-NHYLLIGUSA-N |
| Molecular Weight | 360.494 g/mol |
| SMILES | [C@@]12(C3[C@](O[C@]([C@@](C3)(OC(=O)C)[H])(C=C)C)(C)CCC1C(C)(C)C(C=C2)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959691 |