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wil139981_oa.hsqc

URL: https://nmrxiv.org/D3416

Dataset description:

This dataset contains NMR spectra obtained for the sample -wil139981_oa date: 2019-10-01T20:28:31.000Z isFt: false name: wil139981_oa/1 phc0: 56.34368 phc1: -36.22544 type: NMR FID DECIM:...

Source: wil139981_oa.hsqc

Chemical Info

molecular Image

InChI	InChI=1S/C51H55BF2N10O8S2.K/c1-34-27-36(3)63-50(34)49(51-35(2)28-37(4)64(51)52(63,53)54)40-11-21-46(22-12-40)71-31-44-30-62(60-58-44)23-24-69-25-26-70-32-47(65)55-41-13-7-38(8-14-41)29-48(59-72-74(66,67)68)73-33-39-9-15-42(16-10-39)56-57-43-17-19-45(20-18-43)61(5)6;/h7-22,27-28,30H,23-26,29,31-33H2,1-6H3,(H,55,65)(H,66,67,68);/q;+1/p-1/b57-56+,59-48-;
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=N/C6=CC=C(N(C)C)C=C6)C=C5)C=C4)N=N3)C=C1)C1=C(C)C=C(C)N1[B-]2(F)F.[K+]
InChI Key	BXDUCKWQNZDYCH-DISCXIJYSA-M

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Additional Information

Field	Value
Data last updated	February 3, 2025
Metadata last updated	February 3, 2025
Created	February 3, 2025
Format	HTML
License	Attribution-NonCommercial-NoDerivs 4.0 International
Id	1e2c3c9a-4df0-43e8-a878-a938b074239c
Package id	nmrxiv-d3416
Resource type	HTML
State	active