| SpectraBase Compound ID | Jos3zDihh5I |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-19-20(31)8-9-21-26(19,4)11-10-22-27(21,5)13-14-29(7)23-18-25(2,3)12-16-30(23,24(32)33)17-15-28(22,29)6/h19-23,31H,8-18H2,1-7H3,(H,32,33)/t19-,20-,21+,22-,23-,26+,27-,28+,29-,30-/m0/s1 |
| InChIKey | SWXBCXVNBGHVGG-VKGQNDASSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JvkVBVRwHUS |
|---|---|
| Name | Canophyllic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.375995467 u |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-19-20(31)8-9-21-26(19,4)11-10-22-27(21,5)13-14-29(7)23-18-25(2,3)12-16-30(23,24(32)33)17-15-28(22,29)6/h19-23,31H,8-18H2,1-7H3,(H,32,33)/t19-,20-,21+,22-,23-,26+,27-,28+,29-,30-/m0/s1 |
| InChIKey | SWXBCXVNBGHVGG-VKGQNDASSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | [C@@]1(O)(CC[C@@]2([C@]([C@]1(C)[H])(C)CC[C@]1([C@@]2(C)CC[C@]2(C)[C@]1(C)CC[C@]1(C(=O)O)[C@]2(CC(C)(C)CC1)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853138 |