| SpectraBase Spectrum ID |
LP6kA2qsOho |
| Name |
6-(1-Ethoxyethyl)-plumbagin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.104858991 u |
| Formula |
C15H16O4 |
| InChI |
InChI=1S/C15H16O4/c1-4-19-9(3)10-5-6-11-13(15(10)18)12(16)7-8(2)14(11)17/h5-7,9,18H,4H2,1-3H3 |
| InChIKey |
GTRCPCGISSOHCV-UHFFFAOYSA-N |
| Molecular Weight |
260.289 g/mol |
| SMILES |
C1(=O)C(=CC(=O)C2=C(O)C(=CC=C12)C(OCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943234 |
