| SpectraBase Spectrum ID |
AjkmwLHGDjl |
| Name |
Benzoic acid, 2-hydroxy-5-(2-propynyloxy)-, 1,8-octanediyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
494.194067918 u |
| Formula |
C28H30O8 |
| InChI |
InChI=1S/C28H30O8/c1-3-15-33-21-11-13-25(29)23(19-21)27(31)35-17-9-7-5-6-8-10-18-36-28(32)24-20-22(34-16-4-2)12-14-26(24)30/h1-2,11-14,19-20,29-30H,5-10,15-18H2 |
| InChIKey |
BKNUFDMJIIIHSQ-UHFFFAOYSA-N |
| Molecular Weight |
494.540 g/mol |
| SMILES |
C=1(C(=O)OCCCCCCCCOC(C=2C(=CC=C(C2)OCC#C)O)=O)C(=CC=C(C1)OCC#C)O |
