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1H--13C heteronuclear single quantum...

URL: https://doi.org/10.14272/IBDTXQKORWUHSR-UHFFFAOYSA-N/CHMO0001146

Dataset description:

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Source: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (3-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-1,3-dioxolan-2-yl]quinoxaline-2-carbaldehyde)

Chemical Info

molecular Image

InChI	InChI=1S/C21H11F17N2O3/c22-14(23,5-8-7-42-13(43-8)12-11(6-41)39-9-3-1-2-4-10(9)40-12)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h1-4,6,8,13H,5,7H2
SMILES	O=Cc1nc2ccccc2nc1C1OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChI Key	IBDTXQKORWUHSR-UHFFFAOYSA-N
Molecular Formula	C21H11F17N2O3
Exact Mass	662.296 g/mol

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Additional Information

Field	Value
Data last updated	unknown
Metadata last updated	October 6, 2022
Created	unknown
Format	HTML
License	Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)
Created	2 years ago
Id	2ff107d8-1a7d-40d9-b0b9-c1213de06780
Package id	10-14272-ibdtxqkorwuhsr-uhfffaoysa-n-chmo0001146
Resource type	HTML
State	active