Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C18H17BrO/c19-12-18(20)17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-11H,5-7,9,12H2 |
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SMILES | BrCC(=O)c1cc2CCc3ccc(CCc1cc2)cc3 |
InChI Key | YHTZBTBMDMIXTF-UHFFFAOYSA-N |
Molecular Formula | C18H17BrO |
Exact Mass | 329.231 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/YHTZBTBMDMIXTF-UHFFFAOYSA-N/CHMO0000480 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YHTZBTBMDMIXTF-UHFFFAOYSA-N/CHMO0000480 |
Version | |
Author | Tilman Hans Köhler |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:46:22.379864 |
MetadataModified | 2024-09-08T03:46:22.379869 |
MetadataPublished | 2024-05-21 |
Field | Value |
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Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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J3.513.243K | Nikkaji |
15657168 | PubChem |
SCHEMBL17294906 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |