| SpectraBase Compound ID | A4RM2SQ5RWC |
|---|---|
| InChI | InChI=1S/C7H12O3S/c1-3-4-5-6-7-10-11(2,8)9/h1H,4-7H2,2H3 |
| InChIKey | XSECZSJAHVFTEN-UHFFFAOYSA-N |
| Mol Weight | 176.23 g/mol |
| Molecular Formula | C7H12O3S |
| Exact Mass | 176.050715 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1IZPjvmslkc |
|---|---|
| Name | Hex-5-yn-1-yl methanesulfonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O3S |
| InChI | InChI=1S/C7H12O3S/c1-3-4-5-6-7-10-11(2,8)9/h1H,4-7H2,2H3 |
| InChIKey | XSECZSJAHVFTEN-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/anie.201310280 |
| Molecular Weight | 176.230 g/mol |
| SMILES | C(CCCCOS(C)(=O)=O)#C |
| SPLASH | splash10-0059-9000000000-ae16872f71e0e7c614e0 |
| Source of Spectrum | ACI-53-SMS18-1f |
| Wiley ID | 1782100 |