Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C22H23N3O3S/c1-2-27-21(26)12-7-13-25-19-10-5-4-9-18(19)24-22(25)29-15-14-28-20-11-6-3-8-17(20)16-23/h3-6,8-11H,2,7,12-15H2,1H3
SMILES CCOC(=O)CCCn1c(SCCOc2ccccc2C#N)nc2c1cccc2
InChI Key LYZVBAPWQKUVHX-UHFFFAOYSA-N
Molecular Formula C22H23N3O3S
Exact Mass 409.501 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LYZVBAPWQKUVHX-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/LYZVBAPWQKUVHX-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:19:16.805680
MetadataModified 2024-09-07T14:12:49.508699
MetadataPublished 2015-10-31
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