SpectraBase Compound ID | Jf3mxTwcIHK |
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InChI | InChI=1S/C10H20OS3/c1-6-8(11-7-2)9(12-3)10(13-4)14-5/h8H,6-7H2,1-5H3 |
InChIKey | ZVPKYKIIBIBEEK-UHFFFAOYSA-N |
Mol Weight | 252.45 g/mol |
Molecular Formula | C10H20OS3 |
Exact Mass | 252.067629 g/mol |
SpectraBase Spectrum ID | 5IH7GbyEz4G |
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Name | 3-Ethoxy-1,1,2-tris(methylthio)pent-1-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 252.067628785 u |
Formula | C10H20OS3 |
InChI | InChI=1S/C10H20OS3/c1-6-8(11-7-2)9(12-3)10(13-4)14-5/h8H,6-7H2,1-5H3 |
InChIKey | ZVPKYKIIBIBEEK-UHFFFAOYSA-N |
Molecular Weight | 252.449 g/mol |
SMILES | C(=C(C(CC)OCC)SC)(SC)SC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879889 |