| SpectraBase Spectrum ID |
8I1boOVNjR |
| Name |
6-[1-[4-Methoxyphenyl]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 |
272.104858991 u |
| Formula |
C16H16O4 |
| InChI |
InChI=1S/C16H16O4/c1-10(11-3-5-12(18-2)6-4-11)13-7-15-16(8-14(13)17)20-9-19-15/h3-8,10,17H,9H2,1-2H3 |
| InChIKey |
QMDPKFZRXHOXTD-UHFFFAOYSA-N |
| Molecular Weight |
272.300 g/mol |
| SMILES |
C1=C(C(=CC2=C1OCO2)O)C(C)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89762 |
![6-[1-[4-Methoxyphenyl]ethyl]-1,3-benzodioxol-5-ol](/api/spectrum/8I1boOVNjR/structure.png?h=300&w=458 "6-[1-[4-Methoxyphenyl]ethyl]-1,3-benzodioxol-5-ol")
