20170322_JVN-240872-1.MP300[PROTON_01.fid]
URL: http://nmrxiv.org/D5211
Dataset description:
This dataset contains NMR spectra obtained for the sample -20170322_JVN-240872-1.MP300 name: PROTON_01.fid phc0: -86.2012914143 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1...
Source: 20170322_JVN-240872-1.MP300[PROTON_01.fid]
Chemical Info
| InChI |
InChI=1S/C14H20O2/c1-9-4-3-5-11-7-12-10(6-13(15)16-12)8-14(9,11)2/h5,9-10,12H,3-4,6-8H2,1-2H3/t9-,10-,12+,14+/m0/s1 |
| SMILES |
C[C@H]1CCC=C2C[C@H]3OC(=O)C[C@H]3C[C@@]21C |
| InChI Key |
GBVQUHULADMNBR-BQSGVUBFSA-N |
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