| SpectraBase Spectrum ID |
5B16n7yejE4 |
| Name |
(Phenylmethyl) 11-[3-methyl-5-[(E)-pent-1-enyl]furan-2-yl]undec-10-ynoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.266445016 u |
| Formula |
C28H36O3 |
| InChI |
InChI=1S/C28H36O3/c1-3-4-12-19-26-22-24(2)27(31-26)20-15-9-7-5-6-8-10-16-21-28(29)30-23-25-17-13-11-14-18-25/h11-14,17-19,22H,3-10,16,21,23H2,1-2H3/b19-12+ |
| InChIKey |
CTLVVSDFSVACML-XDHOZWIPSA-N |
| Molecular Weight |
420.593 g/mol |
| SMILES |
C=1(OC(\C=C\CCC)=CC1C)C#CCCCCCCCCC(=O)OCC=1C=CC=CC1 |
![(phenylmethyl) 11-[3-methyl-5-[(E)-pent-1-enyl]furan-2-yl]undec-10-ynoate](/api/spectrum/5B16n7yejE4/structure.png?h=300&w=458 "(phenylmethyl) 11-[3-methyl-5-[(E)-pent-1-enyl]furan-2-yl]undec-10-ynoate")
