![6-[(4-Methylphenyl)thio]hex-5-ynenitrile](/api/spectrum/2iFiIMHLqiw/structure.png?h=300&w=458 "6-[(4-Methylphenyl)thio]hex-5-ynenitrile")
| SpectraBase Compound ID | ASIKb55AsRi |
|---|---|
| InChI | InChI=1S/C13H13NS/c1-12-6-8-13(9-7-12)15-11-5-3-2-4-10-14/h6-9H,2-4H2,1H3 |
| InChIKey | CNMNGXHIXNVFQA-UHFFFAOYSA-N |
| Mol Weight | 215.31 g/mol |
| Molecular Formula | C13H13NS |
| Exact Mass | 215.076871 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2iFiIMHLqiw |
|---|---|
| Name | 6-[(4-Methylphenyl)thio]hex-5-ynenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H13NS |
| InChI | InChI=1S/C13H13NS/c1-12-6-8-13(9-7-12)15-11-5-3-2-4-10-14/h6-9H,2-4H2,1H3 |
| InChIKey | CNMNGXHIXNVFQA-UHFFFAOYSA-N |
| Molecular Weight | 215.314 g/mol |
| SMILES | C(#N)CCCC#CSc1ccc(C)cc1 |
| SPLASH | splash10-014i-1690000000-e525fb4aeab4f44e6ca9 |
| Source of Spectrum | F4-43-3457-1d |
| Wiley ID | 1690590 |