10a_JCAMP.
Chemical Info
InChI | InChI=1S/C13H22O3/c1-2-3-4-5-6-7-8-12-11(14)9-10-13(15)16-12/h9-10,12-13,15H,2-8H2,1H3 |
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SMILES | [CH:1]1=[CH:2][CH:3]([OH:8])[O:4][CH:5]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[C:6]1=[O:7] |
InChI Key | IWXIQYYOEMWJQO-UHFFFAOYSA-N |
Molecular Formula | C13H22O3 |
Exact Mass | 226.310 g/mol |
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Additional Information
Field | Value |
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Data last updated | May 15, 2024 |
Metadata last updated | May 15, 2024 |
Created | May 15, 2024 |
Format | HTML |
License | Attribution 4.0 International |
Id | 578df140-5178-4419-8340-e58c976ba9f1 |
Package id | nmrxiv-d1884 |
Resource type | HTML |
State | active |