| SpectraBase Spectrum ID |
E1WXX7Kfd2r |
| Name |
2,3-bis(Tert-butylsulfanyl)-1,4-dihydronaphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.106122294 u |
| Formula |
C18H22O2S2 |
| InChI |
InChI=1S/C18H22O2S2/c1-17(2,3)21-15-13(19)11-9-7-8-10-12(11)14(20)16(15)22-18(4,5)6/h7-10H,1-6H3 |
| InChIKey |
NSUZEWODJGXQFI-UHFFFAOYSA-N |
| Molecular Weight |
334.492 g/mol |
| SMILES |
C12=C(C=CC=C2)C(C(=C(C1=O)SC(C)(C)C)SC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865916 |
