| SpectraBase Compound ID | 30xriJ5rV3a |
|---|---|
| InChI | InChI=1S/C20H30S2/c1-17(2)11-7-9-19(17,5)15(21)13(11)14-12-8-10-20(6,16(14)22)18(12,3)4/h11-12,15,21H,7-10H2,1-6H3/b14-13-/t11?,12-,15?,19?,20+/m1/s1 |
| InChIKey | HFSCPHIICSBLGV-ACVDYMMJSA-N |
| Mol Weight | 334.58 g/mol |
| Molecular Formula | C20H30S2 |
| Exact Mass | 334.178893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gl1Ol55U4v1 |
|---|---|
| Name | 1-(Thioxocamphore)-1'-(mercaptocamphore) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.178893314 u |
| Formula | C20H30S2 |
| InChI | InChI=1S/C20H30S2/c1-17(2)11-7-9-19(17,5)15(21)13(11)14-12-8-10-20(6,16(14)22)18(12,3)4/h11-12,15,21H,7-10H2,1-6H3/b14-13-/t11?,12-,15?,19?,20+/m1/s1 |
| InChIKey | HFSCPHIICSBLGV-ACVDYMMJSA-N |
| Molecular Weight | 334.580 g/mol |
| SMILES | C12\C(=C\3C([C@@]4(CC[C@]3(C4(C)C)[H])C)=S)C(C(C2(C)C)(CC1)C)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954555 |