Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C27H3F12N9O6/c28-10-7(11(29)17(35)22(16(10)34)43-46-40)25(49)52-4-1-5(53-26(50)8-12(30)18(36)23(44-47-41)19(37)13(8)31)3-6(2-4)54-27(51)9-14(32)20(38)24(45-48-42)21(39)15(9)33/h1-3H |
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SMILES | O=C(c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-])Oc1cc(OC(=O)c2c(F)c(F)c(c(c2F)F)N=[N+]=[N-])cc(c1)OC(=O)c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-] |
InChI Key | QPMRFIBNWHZVRL-UHFFFAOYSA-N |
Molecular Formula | C27H3F12N9O6 |
Exact Mass | 777.350 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000480 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000480 |
Version | |
Author | Lisa Schmidt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:02:01.117405 |
MetadataModified | 2024-09-08T02:02:01.117412 |
MetadataPublished | 2023-12-05 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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169448339 | PubChem |
The data in this table is sourced from UniChem at EBI. |