Brazilein.apt
Dataset description:
This dataset contains NMR spectra obtained for the sample -Brazilein date: 2008-07-07T15:42:49.000Z isFt: true name: 1/12 phc0: 8.029016 phc1: -7 type: NMR Spectrum DECIM: 24 aqMod: 3...
Source: Brazilein.apt
Chemical Info
InChI | InChI=1S/C16H12O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,17,19-20H,6-7H2 |
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SMILES | O=C1C=C2CC3(O)COC4=C(C=CC(O)=C4)C3=C2C=C1O |
InChI Key | MLWIYODOURBGPI-UHFFFAOYSA-N |
Molecular Formula | C16H12O5 |
Exact Mass | 284.260 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 | 19b13ce5-184b-4071-add7-0879913da352 |
Package id | nmrxiv-d1388 |
Resource type | HTML |
State | active |