Dataset
high resolution fast-atom bombardment mass spectrometry (HRFABMS)
Chemical Info
InChI | InChI=1S/C33H29N3O2/c1-19-16-22(29-32(35-33(3,4)5)36-15-9-8-12-27(36)34-29)17-20(2)28(19)21-13-14-25-26(18-21)31(38)24-11-7-6-10-23(24)30(25)37/h6-18,35H,1-5H3 |
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SMILES | Cc1cc(cc(c1c1ccc2c(c1)C(=O)c1c(C2=O)cccc1)C)c1nc2n(c1NC(C)(C)C)cccc2 |
InChI Key | WTBOHQGVPKHSER-UHFFFAOYSA-N |
Molecular Formula | C33H29N3O2 |
Exact Mass | 499.602 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/WTBOHQGVPKHSER-UHFFFAOYSA-N/CHMO0000726 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/WTBOHQGVPKHSER-UHFFFAOYSA-N/CHMO0000726 |
Version | |
Author | Mareen Stahlberger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:42:42.427227 |
MetadataModified | 2024-09-08T01:42:42.427234 |
MetadataPublished | 2023-10-02 |
Field | Value |
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Measurement Technique | high resolution fast-atom bombardment mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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168665441 | PubChem |
The data in this table is sourced from UniChem at EBI. |