| SpectraBase Spectrum ID |
7vbvYvedaep |
| Name |
7-Methoxy-1-tetralone ethylene dithioketal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.064257482 u |
| Formula |
C13H16OS2 |
| InChI |
InChI=1S/C13H16OS2/c1-14-11-5-4-10-3-2-6-13(12(10)9-11)15-7-8-16-13/h4-5,9H,2-3,6-8H2,1H3 |
| InChIKey |
UTADQNUIBIZRME-UHFFFAOYSA-N |
| Molecular Weight |
252.390 g/mol |
| SMILES |
C12(C3=C(C=CC(=C3)OC)CCC1)SCCS2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929143 |
