| SpectraBase Spectrum ID |
6AVWdgx065u |
| Name |
9-(1,1-Dimethylpropyl)-6-N-pentadecyl-4,5-dihydro-3H-benzo[B]oxepin-2-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.381080848 u |
| Formula |
C30H50O2 |
| InChI |
InChI=1S/C30H50O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-25-23-24-27(30(3,4)6-2)29-26(25)21-19-22-28(31)32-29/h23-24H,5-22H2,1-4H3 |
| InChIKey |
UVZVDGCAZQFOTK-UHFFFAOYSA-N |
| Molecular Weight |
442.728 g/mol |
| SMILES |
C12=C(C=CC(=C2CCCC(O1)=O)CCCCCCCCCCCCCCC)C(CC)(C)C |
![9-(1,1-Dimethylpropyl)-6-n-pentadecyl-4,5-dihydro-3H-benzo[b]oxepin-2-one](/api/spectrum/6AVWdgx065u/structure.png?h=300&w=458 "9-(1,1-Dimethylpropyl)-6-n-pentadecyl-4,5-dihydro-3H-benzo[b]oxepin-2-one")
