20170307_WHE245915-SOLID-DIME.MP300[PROTON_01.fid]
URL: http://nmrxiv.org/D5219
Dataset description:
This dataset contains NMR spectra obtained for the sample -20170307_WHE245915-SOLID-DIME.MP300 name: PROTON_01.fid phc0: -89.1266610017 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1...
Source: 20170307_WHE245915-SOLID-DIME.MP300[PROTON_01.fid]
Chemical Info
| InChI |
InChI=1S/C14H22O3/c1-9-4-3-5-11-7-12(15)10(6-13(16)17)8-14(9,11)2/h5,9-10,12,15H,3-4,6-8H2,1-2H3,(H,16,17)/t9-,10+,12+,14+/m0/s1 |
| SMILES |
C[C@H]1CCC=C2C[C@@H](O)[C@H](CC(=O)O)C[C@@]21C |
| InChI Key |
WNCYTXJNIANWGS-UZWIWUQPSA-N |
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