Isoquercitrin 400 MHz in DMSOd6 NMR data.
URL: https://nmrxiv.org/D1282
Dataset description:
NMR data of isoquercitrin in DMSOd6. The dataset contains 1D 1H 13C as well as 2D COSY, HSQC, HMBC, all acquired at 400 MHz (Jeol 400 MHz spectrometer with SuperCOOL Probe) (2019-10-07)...
Source: Isoquercitrin 400 MHz in DMSOd6 NMR data.
Chemical Info
InChI
InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
SMILES
O=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC(O)=C(O)C=C2)OC2=CC(O)=CC(O)=C12
InChI Key
OVSQVDMCBVZWGM-QSOFNFLRSA-N
Molecular Formula
C21H20O12
Exact Mass
464.400 g/mol
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