| SpectraBase Compound ID | 5U3H8YddAeM |
|---|---|
| InChI | InChI=1S/C16H12OS/c1-17-12-16-9-5-4-8-15(16)7-3-2-6-14-10-11-18-13-14/h4-5,8-11,13H,12H2,1H3 |
| InChIKey | XFRPKHQQBQAUNQ-UHFFFAOYSA-N |
| Mol Weight | 252.33 g/mol |
| Molecular Formula | C16H12OS |
| Exact Mass | 252.060886 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6rtF2D6sleU |
|---|---|
| Name | 3-((2-(Methoxymethyl)phenyl)buta-1,3-diyn-1-yl)thiophene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H12OS |
| InChI | InChI=1S/C16H12OS/c1-17-12-16-9-5-4-8-15(16)7-3-2-6-14-10-11-18-13-14/h4-5,8-11,13H,12H2,1H3 |
| InChIKey | XFRPKHQQBQAUNQ-UHFFFAOYSA-N |
| Molecular Weight | 252.331 g/mol |
| SMILES | c1c(ccs1)C#CC#Cc1c(cccc1)COC |
| SPLASH | splash10-00kr-0690000000-6e86bbfb3f2ff4d30729 |
| Source of Spectrum | ASC-361-SM9-1w |
| Wiley ID | 1819195 |