3-[2-(1,3-benzodioxol-5-yl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoic acid

SpectraBase Compound ID	LNlCGTE9P1S
InChI	InChI=1S/C16H15NO7/c1-8(18)13-14(9-2-3-10-11(6-9)24-7-23-10)17(5-4-12(19)20)16(22)15(13)21/h2-3,6,14,21H,4-5,7H2,1H3,(H,19,20)
InChIKey	VLMGQLUIYRCYFD-UHFFFAOYSA-N Google Search
Mol Weight	333.3 g/mol
Molecular Formula	C16H15NO7
Exact Mass	333.084852 g/mol

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SpectraBase Spectrum ID	7gLSA8Mh527
Name	1H-pyrrole-1-propanoic acid, 3-acetyl-2-(1,3-benzodioxol-5-yl)-2,5-dihydro-4-hydroxy-5-oxo-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	333.084851820 u
Formula	C16H15NO7
InChI	InChI=1S/C16H15NO7/c1-8(18)13-14(9-2-3-10-11(6-9)24-7-23-10)17(5-4-12(19)20)16(22)15(13)21/h2-3,6,14,21H,4-5,7H2,1H3,(H,19,20)
InChIKey	VLMGQLUIYRCYFD-UHFFFAOYSA-N
Molecular Weight	333.296 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_5252
Solvent	DMSO-d6
Source	Vendor ID: ZI/9065792; Lab Info: GEI; Lab Number: GEI-G006768