| SpectraBase Compound ID | JhZCILJTZCy |
|---|---|
| InChI | InChI=1S/C9H18S/c1-3-5-6-7-8-9-10-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5+ |
| InChIKey | AUSABVVROLWDGA-AATRIKPKSA-N |
| Mol Weight | 158.3 g/mol |
| Molecular Formula | C9H18S |
| Exact Mass | 158.112922 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C4vaD2KBEuA |
|---|---|
| Name | 3-Heptene, 7-(ethylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.112921754 u |
| Formula | C9H18S |
| InChI | InChI=1S/C9H18S/c1-3-5-6-7-8-9-10-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5+ |
| InChIKey | AUSABVVROLWDGA-AATRIKPKSA-N |
| Molecular Weight | 158.303 g/mol |
| SMILES | C(C\C=C\CC)CSCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963254 |