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wil140082_oa.cosy

URL: https://nmrxiv.org/D2045

Dataset description:

This dataset contains NMR spectra obtained for the sample -wil140082_oa date: 2019-10-18T02:18:24.000Z isFt: false name: wil140082_oa/1 phc0: 53.44955 phc1: -40.38387 type: NMR FID DECIM:...

Source: wil140082_oa.cosy

Chemical Info

molecular Image

InChI	InChI=1S/C43H45BF2N8O10S2.K/c1-28-21-30(3)52-42(28)41(43-29(2)22-31(4)53(43)44(52,45)46)34-9-15-38(16-10-34)63-25-36-24-51(50-48-36)17-18-61-19-20-62-26-39(55)47-35-11-5-32(6-12-35)23-40(49-64-66(58,59)60)65-27-33-7-13-37(14-8-33)54(56)57;/h5-16,21-22,24H,17-20,23,25-27H2,1-4H3,(H,47,55)(H,58,59,60);/q;+1/p-1/b49-40-;
SMILES	CC1=CC(C)=[N+]2C1=C(C1=CC=C(OCC3=CN(CCOCCOCC(=O)NC4=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	DOJKYLSRROQVMZ-JRXBWLDWSA-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	5a6044ba-6258-46bd-b3e1-45ce97dc91c4
Package id	nmrxiv-d2045
Resource type	HTML
State	active