| SpectraBase Spectrum ID |
Cliw1mX7Yt8 |
| Name |
Benzoic acid, 2-hydroxy-5-(2-propynyloxy)-, 6,6-dimethyl-1,11-undecanediyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
564.272318240 u |
| Formula |
C33H40O8 |
| InChI |
InChI=1S/C33H40O8/c1-5-19-38-25-13-15-29(34)27(23-25)31(36)40-21-11-7-9-17-33(3,4)18-10-8-12-22-41-32(37)28-24-26(39-20-6-2)14-16-30(28)35/h1-2,13-16,23-24,34-35H,7-12,17-22H2,3-4H3 |
| InChIKey |
NPIBTRATADMGNW-UHFFFAOYSA-N |
| Molecular Weight |
564.675 g/mol |
| SMILES |
C=1(C(=O)OCCCCCC(CCCCCOC(C=2C(=CC=C(C2)OCC#C)O)=O)(C)C)C(=CC=C(C1)OCC#C)O |
