Dataset
heteronuclear multiple bond coherence (HMBC)
Chemical Info
InChI | InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3 |
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SMILES | CCOC(=O)c1ccc(c(c1)N)Br |
InChI Key | PPVXNRMIVXWQKP-UHFFFAOYSA-N |
Exact Mass | 244.085 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/PPVXNRMIVXWQKP-UHFFFAOYSA-N/CHMO0000601 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/PPVXNRMIVXWQKP-UHFFFAOYSA-N/CHMO0000601 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:34:27.833301 |
MetadataModified | 2024-09-23T09:26:48.164800 |
MetadataPublished | 2024-08-30 |
Field | Value |
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Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |
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