SpectraBase Spectrum ID |
JHxJQo5NY8s |
Name |
Anti-6,9,15,18-tetramethoxy-2,11-dithia[3.3]metacyclophane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
392.111601597 u |
Formula |
C20H24O4S2 |
InChI |
InChI=1S/C20H24O4S2/c1-21-17-5-13-9-25-11-15-7-18(22-2)8-16(20(15)24-4)12-26-10-14(6-17)19(13)23-3/h5-8H,9-12H2,1-4H3 |
InChIKey |
RVYGESYIXYXPPK-UHFFFAOYSA-N |
Molecular Weight |
392.528 g/mol |
SMILES |
C12=C(C(CSCC=3C(=C(CSC2)C=C(C3)OC)OC)=CC(=C1)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876131 |