Shikimic acid.apt
Dataset description:
This dataset contains NMR spectra obtained for the sample -Shikimic acid date: 2007-10-25T16:02:06.000Z isFt: true name: Shikimic acid/1 phc0: 93.98719 phc1: -14.4 type: NMR FID DECIM: 24...
Source: Shikimic acid.apt
Chemical Info
InChI | InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5+,6+/m0/s1 |
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SMILES | O=C(O)C1=C[C@H](O)[C@@H](O)[C@H](O)C1 |
InChI Key | JXOHGGNKMLTUBP-KVQBGUIXSA-N |
Molecular Formula | C7H10O5 |
Exact Mass | 174.150 g/mol |
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Additional Information
Field | Value |
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Data last updated | April 22, 2024 |
Metadata last updated | April 22, 2024 |
Created | April 22, 2024 |
Format | HTML |
License | Attribution 4.0 International |
Id | f6cd967d-7d11-45dc-baa5-cb5cd6084487 |
Package id | nmrxiv-d1423 |
Resource type | HTML |
State | active |