Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C36H42O12/c1-7-43-31(37)25-13-19-20(14-26(25)32(38)44-8-2)22-16-28(34(40)46-10-4)30(36(42)48-12-6)18-24(22)23-17-29(35(41)47-11-5)27(15-21(19)23)33(39)45-9-3/h7-18H2,1-6H3 |
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SMILES | CCOC(=O)C1=C(Cc2c(C1)c1CC(=C(Cc1c1c2CC(=C(C1)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC |
InChI Key | AUFFAUKDAGFVAA-UHFFFAOYSA-N |
Molecular Formula | C36H42O12 |
Exact Mass | 666.711 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/AUFFAUKDAGFVAA-UHFFFAOYSA-N/NMR/13C/CDCl3/100 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/AUFFAUKDAGFVAA-UHFFFAOYSA-N/NMR/13C/CDCl3/100 |
Version | |
Author | Isabelle Wessely |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:57:36.714457 |
MetadataModified | 2024-09-07T13:22:31.790709 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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73427487 | PubChem |
The data in this table is sourced from UniChem at EBI. |