Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C27H25NO5/c29-26(33-20-11-5-2-6-12-20)21-13-7-14-23-22(21)17-24(25-15-8-16-31-25)28(23)27(30)32-18-19-9-3-1-4-10-19/h1-12,14-16,21-24H,13,17-18H2/t21-,22+,23-,24-/m0/s1 |
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SMILES | O=C(N1[C@H]2C=CC[C@@H]([C@H]2C[C@H]1c1ccco1)C(=O)Oc1ccccc1)OCc1ccccc1 |
InChI Key | ULZNCKZFBIKUQU-KIHHCIJBSA-N |
Molecular Formula | C27H25NO5 |
Exact Mass | 443.491 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/ULZNCKZFBIKUQU-KIHHCIJBSA-N/NMR/1H/CDCl3/400 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ULZNCKZFBIKUQU-KIHHCIJBSA-N/NMR/1H/CDCl3/400 |
Version | |
Author | Paul Sauter |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:58:58.943224 |
MetadataModified | 2024-09-07T13:24:36.326254 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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73427495 | PubChem |
The data in this table is sourced from UniChem at EBI. |