Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Info
InChI | InChI=1S/C18H27N3O6/c1-19(2)13-10(16(22)25-7)14(20(3)4)12(18(24)27-9)15(21(5)6)11(13)17(23)26-8/h1-9H3 |
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SMILES | COC(=O)c1c(N(C)C)c(C(=O)OC)c(c(c1N(C)C)C(=O)OC)N(C)C |
InChI Key | JHAXFHTYOKXUIN-UHFFFAOYSA-N |
Molecular Formula | C18H27N3O6 |
Exact Mass | 381.423 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/JHAXFHTYOKXUIN-UHFFFAOYSA-N/CHMO0000563 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JHAXFHTYOKXUIN-UHFFFAOYSA-N/CHMO0000563 |
Version | |
Author | Lisa Schmidt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T06:50:31.768802 |
MetadataModified | 2024-09-07T22:23:24.515340 |
MetadataPublished | 2022-06-23 |
Field | Value |
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Measurement Technique | fast-atom bombardment mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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163407584 | PubChem |
The data in this table is sourced from UniChem at EBI. |