SpectraBase Compound ID | ASIKb55AsRi |
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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 |
SpectraBase Spectrum ID | 2iFiIMHLqiw |
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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 |