Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C16H27NO2S/c1-3-13-17-16(19)12-10-8-6-4-5-7-9-11-14-20-15(2)18/h1H,4-14H2,2H3,(H,17,19) |
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SMILES | C#CCNC(=O)CCCCCCCCCCSC(=O)C |
InChI Key | ZYZROVWSIIWVJU-UHFFFAOYSA-N |
Molecular Formula | C16H27NO2S |
Exact Mass | 297.456 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/ZYZROVWSIIWVJU-UHFFFAOYSA-N/NMR/13C/CDCl3/75 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ZYZROVWSIIWVJU-UHFFFAOYSA-N/NMR/13C/CDCl3/75 |
Version | |
Author | Sylvain Grosjean |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:39:54.335856 |
MetadataModified | 2024-09-07T12:02:12.180707 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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73427278 | PubChem |
J2.619.699J | Nikkaji |
The data in this table is sourced from UniChem at EBI. |