![3,7,14,18,25,29-Hexathiatetracyclo[29.2.2.2(9,12).2(20,23)]nonatriaconta-9,11,20,22,31,33,34,36,38-nonaene](/api/spectrum/HB46H5qxJoC/structure.png?h=300&w=458 "3,7,14,18,25,29-Hexathiatetracyclo[29.2.2.2(9,12).2(20,23)]nonatriaconta-9,11,20,22,31,33,34,36,38-nonaene")
| SpectraBase Compound ID | 4SHhMt3Mjdk |
|---|---|
| InChI | InChI=1S/C33H42S6/c1-16-34-22-28-4-8-30(9-5-28)24-36-18-2-20-38-26-32-12-14-33(15-13-32)27-39-21-3-19-37-25-31-10-6-29(7-11-31)23-35-17-1/h4-15H,1-3,16-27H2 |
| InChIKey | FZTCXQRZFIHYGN-UHFFFAOYSA-N |
| Mol Weight | 631.1 g/mol |
| Molecular Formula | C33H42S6 |
| Exact Mass | 630.161078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HB46H5qxJoC |
|---|---|
| Name | 3,7,14,18,25,29-Hexathiatetracyclo[29.2.2.2(9,12).2(20,23)]nonatriaconta-9,11,20,22,31,33,34,36,38-nonaene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 630.161078396 u |
| Formula | C33H42S6 |
| InChI | InChI=1S/C33H42S6/c1-16-34-22-28-4-8-30(9-5-28)24-36-18-2-20-38-26-32-12-14-33(15-13-32)27-39-21-3-19-37-25-31-10-6-29(7-11-31)23-35-17-1/h4-15H,1-3,16-27H2 |
| InChIKey | FZTCXQRZFIHYGN-UHFFFAOYSA-N |
| Molecular Weight | 631.059 g/mol |
| SMILES | C1=CC2=CC=C1CSCCCSCC1=CC=C(C=C1)CSCCCSCC1=CC=C(C=C1)CSCCCSC2 |