13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/QZBJJXMITFWMSS-UHFFFAOYSA-N/NMR/13C/CDCL3/100
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n
Source: 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C11H14OS2/c1-12-10-5-2-4-9(8-10)11-13-6-3-7-14-11/h2,4-5,8,11H,3,6-7H2,1H3 |
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SMILES | COc1cccc(c1)C1SCCCS1 |
InChI Key | QZBJJXMITFWMSS-UHFFFAOYSA-N |
Molecular Formula | C11H14OS2 |
Exact Mass | 226.358 g/mol |
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Additional Information
Field | Value |
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Data last updated | September 7, 2024 |
Metadata last updated | September 7, 2024 |
Created | September 7, 2024 |
Format | HTML |
License | No License Provided |
Id | 72d0d57c-78db-4c33-ad31-b8050c30d1c6 |
Package id | 10-14272-qzbjjxmitfwmss-uhfffaoysa-n-nmr-13c-cdcl3-100 |
Resource type | HTML |
State | active |