| SpectraBase Compound ID | AOOywev6G1Z |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-23-22-26(28)25(20-6-3)27(29)24(23)19-5-2/h5-6,22,28-29H,2-4,7-21H2,1H3 |
| InChIKey | NSIUOHOHIYCBGN-UHFFFAOYSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDQ5mrVvJar |
|---|---|
| Name | 2,4-Bisallyl-5-N-pendecylbenzene-1,3-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.334130655 u |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-23-22-26(28)25(20-6-3)27(29)24(23)19-5-2/h5-6,22,28-29H,2-4,7-21H2,1H3 |
| InChIKey | NSIUOHOHIYCBGN-UHFFFAOYSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | C1(=C(C(O)=CC(=C1CC=C)CCCCCCCCCCCCCCC)CC=C)O |