Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C27H28N2O5/c1-5-28(6-2)19-11-9-17-13-21(26(31)33-23(17)15-19)25(30)22-14-18-10-12-20(29(7-3)8-4)16-24(18)34-27(22)32/h9-16H,5-8H2,1-4H3
SMILES CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)c1cc2ccc(cc2oc1=O)N(CC)CC)CC
InChI Key SANIRTQDABNCHF-UHFFFAOYSA-N
Molecular Formula C27H28N2O5
Exact Mass 460.522 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SANIRTQDABNCHF-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/SANIRTQDABNCHF-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:17:05.922833
MetadataModified 2025-01-29T16:10:12.144925
MetadataPublished 2024-10-17
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