| SpectraBase Compound ID | 5iwfA3iMb82 |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-18-9-5-10-19(2,17(22)23)15(18)8-11-21-12-14(6-7-16(18)21)20(3,13-21)24-4/h14-16H,5-13H2,1-4H3,(H,22,23)/t14?,15-,16-,18+,19+,20+,21?/m0/s1 |
| InChIKey | VYVVNCBNYVCVGC-HCAONFMESA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C21H34O3 |
| Exact Mass | 334.250795 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fmqk87Jt9kL |
|---|---|
| Name | 16-alpha-Methoxy-ent-kauran-19-oic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.250794952 u |
| Formula | C21H34O3 |
| InChI | InChI=1S/C21H34O3/c1-18-9-5-10-19(2,17(22)23)15(18)8-11-21-12-14(6-7-16(18)21)20(3,13-21)24-4/h14-16H,5-13H2,1-4H3,(H,22,23)/t14?,15-,16-,18+,19+,20+,21?/m0/s1 |
| InChIKey | VYVVNCBNYVCVGC-HCAONFMESA-N |
| Molecular Weight | 334.500 g/mol |
| SMILES | C(=O)([C@@]1(CCC[C@@]2([C@@]1(CCC13[C@]2(CCC(C3)[C@](C1)(C)OC)[H])[H])C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932711 |