Dataset
Fourier transform infrared spectroscopy (FTIR)
Chemical Info
InChI | InChI=1S/C19H22N2O2S/c24-19-21(9-3-8-20-10-12-22-13-11-20)14-17-16-5-2-1-4-15(16)6-7-18(17)23-19/h1-2,4-7H,3,8-14H2 |
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SMILES | S=C1Oc2ccc3c(c2CN1CCCN1CCOCC1)cccc3 |
InChI Key | UMKRDQFXYJCILQ-UHFFFAOYSA-N |
Molecular Formula | C19H22N2O2S |
Exact Mass | 342.455 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/UMKRDQFXYJCILQ-UHFFFAOYSA-N/CHMO0000636 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/UMKRDQFXYJCILQ-UHFFFAOYSA-N/CHMO0000636 |
Version | |
Author | Andreas Link |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T00:58:38.706894 |
MetadataModified | 2024-09-08T00:58:38.706899 |
MetadataPublished | 2023-05-18 |
Field | Value |
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Measurement Technique | Fourier transform infrared spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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168059109 | PubChem |
The data in this table is sourced from UniChem at EBI. |