| SpectraBase Compound ID | G6FXPheffJH |
|---|---|
| InChI | InChI=1S/C29H44O2/c1-22(18-21-31-27(30)17-14-24-10-7-6-8-11-24)12-15-25-23(2)13-16-26-28(3,4)19-9-20-29(25,26)5/h6-8,10-11,22,25-26H,2,9,12-21H2,1,3-5H3 |
| InChIKey | OTCHLJZCPVLWDQ-UHFFFAOYSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C29H44O2 |
| Exact Mass | 424.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ikLJxbBGs6 |
|---|---|
| Name | Labd-8(20)-en-15-yl dihydrocinnamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.334130655 u |
| Formula | C29H44O2 |
| InChI | InChI=1S/C29H44O2/c1-22(18-21-31-27(30)17-14-24-10-7-6-8-11-24)12-15-25-23(2)13-16-26-28(3,4)19-9-20-29(25,26)5/h6-8,10-11,22,25-26H,2,9,12-21H2,1,3-5H3 |
| InChIKey | OTCHLJZCPVLWDQ-UHFFFAOYSA-N |
| Molecular Weight | 424.669 g/mol |
| SMILES | C(CCC1=CC=CC=C1)(=O)OCCC(CCC1C(CCC2C1(CCCC2(C)C)C)=C)C |