Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C18H16O2/c19-11-17-9-13-1-5-15(17)8-4-14-2-6-16(7-3-13)18(10-14)12-20/h1-2,5-6,9-12H,3-4,7-8H2 |
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SMILES | O=Cc1cc2CCc3ccc(CCc1cc2)cc3C=O |
InChI Key | MRXCZHLKRNMFEL-UHFFFAOYSA-N |
Molecular Formula | C18H16O2 |
Exact Mass | 264.318 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/MRXCZHLKRNMFEL-UHFFFAOYSA-N/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/MRXCZHLKRNMFEL-UHFFFAOYSA-N/CHMO0001148 |
Version | |
Author | Mareen Stahlberger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T07:03:24.229057 |
MetadataModified | 2024-09-07T22:37:28.805051 |
MetadataPublished | 2022-07-25 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear multiple bond coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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J1.361.515B | Nikkaji |
UZINOH | CCDC |
13268507 | PubChem |
The data in this table is sourced from UniChem at EBI. |