Dataset
heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)
Chemical Info
InChI | InChI=1S/C30H31NS/c1-29(2,3)21-11-15-26-24(18-21)25-19-22(30(4,5)6)12-16-27(25)31(26)23-13-9-20(10-14-23)28-8-7-17-32-28/h7-19H,1-6H3 |
---|---|
SMILES | CC(c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1cccs1)C(C)(C)C)(C)C |
InChI Key | KPGRRBWOUZPPTI-UHFFFAOYSA-N |
Molecular Formula | C30H31NS |
Exact Mass | 437.639 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/KPGRRBWOUZPPTI-UHFFFAOYSA-N/CHMO0001071 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/KPGRRBWOUZPPTI-UHFFFAOYSA-N/CHMO0001071 |
Version | |
Author | Steffen Otterbach |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:53:41.920947 |
MetadataModified | 2024-09-08T01:53:41.920952 |
MetadataPublished | 2023-11-13 |
Field | Value |
---|---|
Measurement Technique | heteronuclear single quantum coherence total correlation spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
132497699 | PubChem |
J3.624.539E | Nikkaji |
The data in this table is sourced from UniChem at EBI. |