SpectraBase Compound ID | 2Cdr80z4HKL |
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InChI | InChI=1S/C6H10OS/c1-3-5-8(7)6-4-2/h3-6H,1-2H3/b5-3+,6-4+ |
InChIKey | DNPFMHOKFCHDJG-GGWOSOGESA-N |
Mol Weight | 130.2 g/mol |
Molecular Formula | C6H10OS |
Exact Mass | 130.045236 g/mol |
SpectraBase Spectrum ID | GPWpOPb2h8h |
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Name | (E)-1-[(E)-Prop-1-enyl]sulfinylprop-1-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 130.045236115 u |
Formula | C6H10OS |
InChI | InChI=1S/C6H10OS/c1-3-5-8(7)6-4-2/h3-6H,1-2H3/b5-3+,6-4+ |
InChIKey | DNPFMHOKFCHDJG-GGWOSOGESA-N |
Molecular Weight | 130.205 g/mol |
SMILES | C\C=C\S(=O)\C=C\C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876414 |