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Caffeic acid 400 MHz in DMSOd6 NMR data.2d

Dataset description:

NMR data of caffeic acid 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 Royal Probe) (2019-10-06)...

Source: Caffeic acid 400 MHz in DMSOd6 NMR data.2d

Chemical Info

InChI	InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
SMILES	O=C(O)/C=C/C1=CC(O)=C(O)C=C1
InChI Key	QAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular Formula	C9H8O4
Exact Mass	180.160 g/mol

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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	CC0 1.0 Legal Code
Id	3d30c820-33c8-4462-9e84-a5966e1f647e
Package id	nmrxiv-d850
Resource type	HTML
State	active