Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Information
| InChI | InChI=1S/C27H34O4/c1-6-7-8-9-14-27(2,3)21-17-24(30-5)23-16-20(26(28)31-25(23)18-21)15-19-10-12-22(29-4)13-11-19/h10-13,16-18H,6-9,14-15H2,1-5H3 |
|---|---|
| SMILES | CCCCCCC(c1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccc(cc1)OC)(C)C |
| InChI Key | WMCPGNYQAAHCHT-UHFFFAOYSA-N |
| Exact Mass | 422.556 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/WMCPGNYQAAHCHT-UHFFFAOYSA-N/CHMO0000593 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/WMCPGNYQAAHCHT-UHFFFAOYSA-N/CHMO0000593 |
| Version | |
| Author | Florian Mohr |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2026-04-28T13:08:00Z |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| No additional information available for this Dataset. | |