| SpectraBase Spectrum ID |
G1XCa4TXKt5 |
| Name |
1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol, 2ac derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.194067918 u |
| Formula |
C25H30O8 |
| InChI |
InChI=1S/C25H30O8/c1-16(26)32-23(25(3,4)33-17(2)27)14-29-20-10-8-18(9-11-20)6-7-19-12-21(28-5)24-22(13-19)30-15-31-24/h8-13,23H,6-7,14-15H2,1-5H3 |
| InChIKey |
YRUGRNNHFVCNFY-UHFFFAOYSA-N |
| Molecular Weight |
458.507 g/mol |
| SMILES |
C(COC1=CC=C(CCC2=CC(OC)=C3OCOC3=C2)C=C1)(C(C)(OC(=O)C)C)OC(=O)C |
![1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol, 2ac derivative](/api/spectrum/G1XCa4TXKt5/structure.png?h=300&w=458 "1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol, 2ac derivative")
