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/C31H37N5O4/c1-2-3-13-24-28(37)34-25(18-21-19-32-23-14-8-7-12-22(21)23)29(38)35-26(17-20-10-5-4-6-11-20)31(40)36-16-9-15-27(36)30(39)33-24/h4-8,10-12,14,19,24-27,32H,2-3,9,13,15-18H2,1H3,(H,33,39)(H,34,37)(H,35,38)/t24-,25-,26-,27+/m0/s1
SMILES CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)Cc1ccccc1
InChI Key YWQIDXIQUKYLGZ-YIPNQBBMSA-N
Molecular Formula C31H37N5O4
Exact Mass 543.657 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YWQIDXIQUKYLGZ-YIPNQBBMSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YWQIDXIQUKYLGZ-YIPNQBBMSA-N/CHMO0000595
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:05:03.913581
MetadataModified 2024-09-07T20:27:51.870942
MetadataPublished 2021-09-23
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables