Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C20H16BrNO2/c1-23-15-7-9-19-17(11-15)18-12-16(24-2)8-10-20(18)22(19)14-5-3-13(21)4-6-14/h3-12H,1-2H3 |
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SMILES | COc1ccc2c(c1)c1cc(OC)ccc1n2c1ccc(cc1)Br |
InChI Key | RLFONFBXHGXNET-UHFFFAOYSA-N |
Molecular Formula | C20H16BrNO2 |
Exact Mass | 382.251 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/RLFONFBXHGXNET-UHFFFAOYSA-N/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/RLFONFBXHGXNET-UHFFFAOYSA-N/CHMO0000470 |
Version | |
Author | Steffen Otterbach |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:56:16.460262 |
MetadataModified | 2024-09-08T01:56:16.460266 |
MetadataPublished | 2023-11-13 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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122679750 | PubChem |
SCHEMBL18216935 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |