Dataset
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
InChI | InChI=1S/C35H38O5/c36-35(31-15-19-33(20-16-31)39-25-9-7-23-37-27-29-11-3-1-4-12-29)32-17-21-34(22-18-32)40-26-10-8-24-38-28-30-13-5-2-6-14-30/h1-6,11-22H,7-10,23-28H2 |
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SMILES | O=C(c1ccc(cc1)OCCCCOCc1ccccc1)c1ccc(cc1)OCCCCOCc1ccccc1 |
InChI Key | XHZHVHMQWMDSMO-UHFFFAOYSA-N |
Molecular Formula | C35H38O5 |
Exact Mass | 538.673 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/XHZHVHMQWMDSMO-UHFFFAOYSA-N/NMR/HHCOSY/CDCl3.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/XHZHVHMQWMDSMO-UHFFFAOYSA-N/NMR/HHCOSY/CDCl3.1 |
Version | |
Author | Frederic Witkind Hirth |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T21:20:25.852843 |
MetadataModified | 2024-09-07T13:45:25.444416 |
MetadataPublished | 2014-08-19 |
Field | Value |
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Measurement Technique | 1H–1H correlation spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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77014273 | PubChem |
The data in this table is sourced from UniChem at EBI. |