Dataset
heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)
Chemical Info
InChI | InChI=1S/C26H30BrN/c1-25(2,3)19-7-13-22(14-8-19)28(24-17-11-21(27)12-18-24)23-15-9-20(10-16-23)26(4,5)6/h7-18H,1-6H3 |
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SMILES | Brc1ccc(cc1)N(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C |
InChI Key | NPGGLZWVRNBLFX-UHFFFAOYSA-N |
Molecular Formula | C26H30BrN |
Exact Mass | 436.427 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/NPGGLZWVRNBLFX-UHFFFAOYSA-N/CHMO0001071 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/NPGGLZWVRNBLFX-UHFFFAOYSA-N/CHMO0001071 |
Version | |
Author | Steffen Otterbach |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:54:37.482022 |
MetadataModified | 2024-09-08T01:54:37.482027 |
MetadataPublished | 2023-11-13 |
Field | Value |
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Measurement Technique | heteronuclear single quantum coherence total correlation spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
59793446 | PubChem |
J3.195.761C | Nikkaji |
SCHEMBL9956810 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |