20170323_JVN-240874-1.MP300[PROTON_01.fid]
URL: http://nmrxiv.org/D5217
Dataset description:
This dataset contains NMR spectra obtained for the sample -20170323_JVN-240874-1.MP300 name: PROTON_01.fid phc0: -76.9790407559 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1...
Source: 20170323_JVN-240874-1.MP300[PROTON_01.fid]
Chemical Info
| InChI |
InChI=1S/C15H20O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h6,9,12-13H,2,4-5,7-8H2,1,3H3/t9-,12+,13+,15+/m0/s1 |
| SMILES |
C=C1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)C[C@H]12 |
| InChI Key |
JCQHNWRLZMISTB-XRFFLINXSA-N |
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