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wil139033_oa.hsqc

URL: https://nmrxiv.org/D2036

Dataset description:

This dataset contains NMR spectra obtained for the sample -wil139033_oa date: 2019-06-19T11:51:49.000Z isFt: false name: wil139033_oa/1 phc0: 89.32172 phc1: -12.00799 type: NMR FID DECIM:...

Source: wil139033_oa.hsqc

Chemical Info

molecular Image

InChI	InChI=1S/C37H34BF2N7O7S2.K/c1-23-17-25(3)45-36(23)35(37-24(2)18-26(4)46(37)38(45,39)40)29-9-15-33(16-10-29)53-21-30-20-44(43-41-30)31-11-5-27(6-12-31)19-34(42-54-56(50,51)52)55-22-28-7-13-32(14-8-28)47(48)49;/h5-18,20H,19,21-22H2,1-4H3,(H,50,51,52);/q;+1/p-1/b42-34-;
SMILES	CC1=CC(C)=[N+]2C1=C(C1=CC=C(OCC3=CN(C4=CC=C(C/C(=N/OS(=O)(=O)[O-])SCC5=CC=C([N+](=O)[O-])C=C5)C=C4)N=N3)C=C1)C1=C(C)C=C(C)N1[B-]2(F)F.[K+]
InChI Key	CCARFXUZEVVFKM-NUNPMISSSA-M

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Additional Information

Field	Value
Data last updated	May 15, 2024
Metadata last updated	May 15, 2024
Created	May 15, 2024
Format	HTML
License	Attribution-NonCommercial-NoDerivs 4.0 International
Id	6c60ab7b-2650-4729-9175-51f1024d884d
Package id	nmrxiv-d2036
Resource type	HTML
State	active