| SpectraBase Spectrum ID |
GDOyx2DG93e |
| Name |
1,4-Naphthalenedione, 2-(ethylthio)-3-[2-(4-methoxyphenyl)-2-oxoethyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.092580230 u |
| Formula |
C21H18O4S |
| InChI |
InChI=1S/C21H18O4S/c1-3-26-21-17(12-18(22)13-8-10-14(25-2)11-9-13)19(23)15-6-4-5-7-16(15)20(21)24/h4-11H,3,12H2,1-2H3 |
| InChIKey |
IVRGMXHTCOXJMV-UHFFFAOYSA-N |
| Molecular Weight |
366.431 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2)SCC)CC(C1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915618 |
![1,4-Naphthalenedione, 2-(ethylthio)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-](/api/spectrum/GDOyx2DG93e/structure.png?h=300&w=458 "1,4-Naphthalenedione, 2-(ethylthio)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-")
