| SpectraBase Compound ID | BwPvhpyOLxm |
|---|---|
| InChI | InChI=1S/C6H6S/c1-3-4-5-6-7-2/h1-2H3 |
| InChIKey | CJQPWYADIDAROF-UHFFFAOYSA-N |
| Mol Weight | 110.17 g/mol |
| Molecular Formula | C6H6S |
| Exact Mass | 110.019021 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BDRRTXMjtb1 |
|---|---|
| Name | 1,3-PENTADIYNE, 1-(METHYLTHIO)- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 110.019021367 u |
| Formula | C6H6S |
| InChI | InChI=1S/C6H6S/c1-3-4-5-6-7-2/h1-2H3 |
| InChIKey | CJQPWYADIDAROF-UHFFFAOYSA-N |
| Molecular Weight | 110.174 g/mol |
| Nominal Mass | 110 u |
| Number of Peaks | 68 |
| SMILES | CSC#CC#CC |
| SPLASH | splash10-01ot-9200000000-d945f486466eccebc95d |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Wiley ID | MVX_001521 |