Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C12H14/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3 |
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SMILES | C#Cc1ccc(cc1)C(C)(C)C |
InChI Key | ZSYQVVKVKBVHIL-UHFFFAOYSA-N |
Exact Mass | 158.240 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/ZSYQVVKVKBVHIL-UHFFFAOYSA-N/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ZSYQVVKVKBVHIL-UHFFFAOYSA-N/CHMO0001148 |
Version | |
Author | Grace Hunt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:13:50.161668 |
MetadataModified | 2024-09-23T09:25:30.897012 |
MetadataPublished | 2024-07-16 |
Related Molecule |