Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C12H15NO/c1-12(2,14-3)10-8-13-11-7-5-4-6-9(10)11/h4-8,13H,1-3H3 |
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SMILES | COC(c1c[nH]c2c1cccc2)(C)C |
InChI Key | ZVRBVFYNULFHBU-UHFFFAOYSA-N |
Molecular Formula | C12H15NO |
Exact Mass | 189.254 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/ZVRBVFYNULFHBU-UHFFFAOYSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ZVRBVFYNULFHBU-UHFFFAOYSA-N/Mass/EI |
Version | |
Author | Sabilla Zhong |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:30:13.661591 |
MetadataModified | 2024-09-07T12:41:44.092569 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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73427428 | PubChem |
The data in this table is sourced from UniChem at EBI. |