infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/LXIYELLFKPNDKG-UHFFFAOYSA-N/IR
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
InChI | InChI=1S/C12H16O3S2/c1-15-11(14)10(8-3-4-9(13)7-8)12-16-5-2-6-17-12/h8H,2-7H2,1H3 |
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SMILES | COC(=O)C(=C1SCCCS1)C1CCC(=O)C1 |
InChI Key | LXIYELLFKPNDKG-UHFFFAOYSA-N |
Molecular Formula | C12H16O3S2 |
Exact Mass | 272.384 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 | da08b444-cfcf-4ce1-a0a0-f85fc009d83e |
Package id | 10-14272-lxiyellfkpndkg-uhfffaoysa-n-ir |
Resource type | HTML |
State | active |