| SpectraBase Spectrum ID |
CezDc0jAOUN |
| Name |
1,4-Naphthalenedione, 2-(ethylthio)-3-(2-oxo-2-phenylethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.082015546 u |
| Formula |
C20H16O3S |
| InChI |
InChI=1S/C20H16O3S/c1-2-24-20-16(12-17(21)13-8-4-3-5-9-13)18(22)14-10-6-7-11-15(14)19(20)23/h3-11H,2,12H2,1H3 |
| InChIKey |
ZGRWNZLZEWYGQX-UHFFFAOYSA-N |
| Molecular Weight |
336.405 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2)SCC)CC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924569 |
