| SpectraBase Spectrum ID |
Hfc1XLenc6Z |
| Name |
1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol, 2me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.204238680 u |
| Formula |
C23H30O6 |
| InChI |
InChI=1S/C23H30O6/c1-23(2,26-5)21(25-4)14-27-18-10-8-16(9-11-18)6-7-17-12-19(24-3)22-20(13-17)28-15-29-22/h8-13,21H,6-7,14-15H2,1-5H3 |
| InChIKey |
LXHFWEHZJPNVET-UHFFFAOYSA-N |
| Molecular Weight |
402.487 g/mol |
| SMILES |
C(COC1=CC=C(CCC2=CC(OC)=C3OCOC3=C2)C=C1)(C(C)(OC)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97006 |
![1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol, 2me derivative](/api/spectrum/Hfc1XLenc6Z/structure.png?h=300&w=458 "1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol, 2me derivative")
