| SpectraBase Spectrum ID |
6OaLtQp24ez |
| Name |
1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.172938551 u |
| Formula |
C21H26O6 |
| InChI |
InChI=1S/C21H26O6/c1-21(2,23)19(22)12-25-16-8-6-14(7-9-16)4-5-15-10-17(24-3)20-18(11-15)26-13-27-20/h6-11,19,22-23H,4-5,12-13H2,1-3H3 |
| InChIKey |
CAXDNOAMAQQQMX-UHFFFAOYSA-N |
| Molecular Weight |
374.433 g/mol |
| SMILES |
C(C(C(C)(O)C)O)OC1=CC=C(C=C1)CCC1=CC(=C2OCOC2=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871122 |
![1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol](/api/spectrum/6OaLtQp24ez/structure.png?h=300&w=458 "1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol")
