| SpectraBase Spectrum ID |
3tsGCT2i4Qj |
| Name |
1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol, me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.188588616 u |
| Formula |
C22H28O6 |
| InChI |
InChI=1S/C22H28O6/c1-22(2,23)20(25-4)13-26-17-9-7-15(8-10-17)5-6-16-11-18(24-3)21-19(12-16)27-14-28-21/h7-12,20,23H,5-6,13-14H2,1-4H3 |
| InChIKey |
VLNAFRGRWNSYPH-UHFFFAOYSA-N |
| Molecular Weight |
388.460 g/mol |
| SMILES |
C(COC1=CC=C(CCC2=CC(OC)=C3OCOC3=C2)C=C1)(C(C)(O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90196 |
![1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol, me derivative](/api/spectrum/3tsGCT2i4Qj/structure.png?h=300&w=458 "1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol, me derivative")
