20160704_WHE227183-DISTILLED.MP300[PROTON_01.fid]
URL: http://nmrxiv.org/D5212
Dataset description:
This dataset contains NMR spectra obtained for the sample -20160704_WHE227183-DISTILLED.MP300 name: PROTON_01.fid phc0: 104.145731388 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1...
Source: 20160704_WHE227183-DISTILLED.MP300[PROTON_01.fid]
Chemical Info
| InChI |
InChI=1S/C12H18O/c1-9-4-3-5-10-8-11(13)6-7-12(9,10)2/h8-9H,3-7H2,1-2H3/t9-,12+/m0/s1 |
| SMILES |
C[C@H]1CCCC2=CC(=O)CC[C@@]21C |
| InChI Key |
ISBAIEHOYPJLFM-JOYOIKCWSA-N |
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