Dataset
(2-iodo-5-methoxyphenyl)methanol.hmqc
Chemical Info
InChI | InChI=1S/C8H9IO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4,10H,5H2,1H3 |
---|---|
SMILES | COC1=CC(CO)=C(I)C=C1 |
InChI Key | AYLPYLQTOJCHSH-UHFFFAOYSA-N |
Molecular Formula | C8H9IO2 |
Exact Mass | 264.060 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p26.s179.d761 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D761 |
Version | |
Author | Javier Ruiz, Ainhoa Ardeo, Roberto Ignacio, Nuria Sotomayor, Esther Lete |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T15:45:31.831069 |
MetadataModified | 2024-09-23T09:29:10.739108 |
MetadataPublished | 2023-12-21 13:58:43 |
Field | Value |
---|---|
Measurement Technique | heteronuclear multiple quantum coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
11076301 | PubChem |
16145660 | PubChem: Thomson Pharma |
SCHEMBL8824014 | SureChEMBL |
40132832 | NMRShiftDB |
J1.820.001E | Nikkaji |
The data in this table is sourced from UniChem at EBI. |