Dataset
heteronuclear single quantum coherence (HSQC)
Chemical Info
InChI | InChI=1S/C25H16F15NO/c1-2-12-41-15-11-7-6-10-14(15)16(17(41)13-8-4-3-5-9-13)18(42)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h3-11H,2,12H2,1H3 |
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SMILES | CCCn1c(c2ccccc2)c(c2c1cccc2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
InChI Key | HZWGYARODZYKRN-UHFFFAOYSA-N |
Molecular Formula | C25H16F15NO |
Exact Mass | 631.377 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/HZWGYARODZYKRN-UHFFFAOYSA-N/CHMO0000604 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/HZWGYARODZYKRN-UHFFFAOYSA-N/CHMO0000604 |
Version | |
Author | Helena Šimek |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T07:30:36.507614 |
MetadataModified | 2024-09-07T23:13:40.310948 |
MetadataPublished | 2022-09-15 |
Field | Value |
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Measurement Technique | heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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164889726 | PubChem |
The data in this table is sourced from UniChem at EBI. |