| SpectraBase Spectrum ID |
JnQMLe7XDIK |
| Name |
6-[1-[4-Methylphenyl]ethyl]-1,3-benzodioxol-5-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.109944372 u |
| Formula |
C16H16O3 |
| InChI |
InChI=1S/C16H16O3/c1-10-3-5-12(6-4-10)11(2)13-7-15-16(8-14(13)17)19-9-18-15/h3-8,11,17H,9H2,1-2H3 |
| InChIKey |
RRZLGXCBYYOONE-UHFFFAOYSA-N |
| Molecular Weight |
256.301 g/mol |
| SMILES |
C1(=C(C=C2C(=C1)OCO2)O)C(C1=CC=C(C=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885804 |
![6-[1-[4-Methylphenyl]ethyl]-1,3-benzodioxol-5-ol](/api/spectrum/JnQMLe7XDIK/structure.png?h=300&w=458 "6-[1-[4-Methylphenyl]ethyl]-1,3-benzodioxol-5-ol")
