| SpectraBase Spectrum ID |
JjgYDTAqJB8 |
| Name |
6H,12H-Dibenzo[B,F][1,5]dithiocin-6,12-imine, 13,13'-(1,2-ethanediyl)bis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
540.082233477 u |
| Formula |
C30H24N2S4 |
| InChI |
InChI=1S/C30H24N2S4/c1-5-13-23-19(9-1)27-31(28(33-23)20-10-2-6-14-24(20)34-27)17-18-32-29-21-11-3-7-15-25(21)35-30(32)22-12-4-8-16-26(22)36-29/h1-16,27-30H,17-18H2/t27-,28-,29-,30-/m0/s1 |
| InChIKey |
YBAJXCIZKQBEJL-KRCBVYEFSA-N |
| Molecular Weight |
540.776 g/mol |
| SMILES |
[C@]12(N([C@](C3=C(S2)C=CC=C3)(SC=2C=CC=CC12)[H])CCN1[C@]2(SC3=C([C@@]1(SC=1C=CC=CC21)[H])C=CC=C3)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810791 |
![6H,12H-Dibenzo[b,f][1,5]dithiocin-6,12-imine, 13,13'-(1,2-ethanediyl)bis-](/api/spectrum/JjgYDTAqJB8/structure.png?h=300&w=458 "6H,12H-Dibenzo[b,f][1,5]dithiocin-6,12-imine, 13,13'-(1,2-ethanediyl)bis-")
