| SpectraBase Compound ID | 1BNeDl0FSam |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-14(13-21)7-9-16-15(2)8-10-17-19(16,3)11-6-12-20(17,4)18(22)23-5/h7,13,16-17H,2,6,8-12H2,1,3-5H3/b14-7+/t16?,17?,19?,20-/m0/s1 |
| InChIKey | MTXBOUHFHLZZDV-CKGQPVDTSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ILQSsfF7PQS |
|---|---|
| Name | 15-Norlabda-8(17),12(E)-dien-14-carboraldehyde-19-oic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.219494823 u |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-14(13-21)7-9-16-15(2)8-10-17-19(16,3)11-6-12-20(17,4)18(22)23-5/h7,13,16-17H,2,6,8-12H2,1,3-5H3/b14-7+/t16?,17?,19?,20-/m0/s1 |
| InChIKey | MTXBOUHFHLZZDV-CKGQPVDTSA-N |
| Molecular Weight | 318.457 g/mol |
| SMILES | C12(C([C@](C(=O)OC)(C)CCC2)CCC(C1C\C=C\(C=O)C)=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923716 |