Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C9H13O3P/c1-8-5-4-6-9(7-8)13(10,11-2)12-3/h4-7H,1-3H3 |
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SMILES | COP(=O)(c1cccc(c1)C)OC |
InChI Key | BOVXCNOYJDLWHV-UHFFFAOYSA-N |
Molecular Formula | C9H13O3P |
Exact Mass | 200.171 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/BOVXCNOYJDLWHV-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/BOVXCNOYJDLWHV-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Christoph Zippel |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T05:36:38.498293 |
MetadataModified | 2024-09-07T21:08:21.443671 |
MetadataPublished | 2022-01-10 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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SCHEMBL12230060 | SureChEMBL |
57681246 | PubChem |
The data in this table is sourced from UniChem at EBI. |