1-Methyl-3-( 2'-oxo-2H-[1]benzopyran-4'-yl)-4,5-dihydropyrazole-4,5-dicarboxylic - N-methylimide - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	E6hZ1fGV6Wh
InChI	InChI=1S/C16H13N3O4/c1-18-15(21)12-13(17-19(2)14(12)16(18)22)9-7-11(20)23-10-6-4-3-5-8(9)10/h3-7,12,14H,1-2H3/t12-,14+/m0/s1
InChIKey	YGJUOEUHCDNDOM-GXTWGEPZSA-N Google Search
Mol Weight	311.3 g/mol
Molecular Formula	C16H13N3O4
Exact Mass	311.090606 g/mol

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SpectraBase Spectrum ID	6OJvGf9NOX5
Name	1-Methyl-3-( 2'-oxo-2H-[1]benzopyran-4'-yl)-4,5-dihydropyrazole-4,5-dicarboxylic - N-methylimide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H13N3O4
InChI	InChI=1S/C16H13N3O4/c1-18-15(21)12-13(17-19(2)14(12)16(18)22)9-7-11(20)23-10-6-4-3-5-8(9)10/h3-7,12,14H,1-2H3/t12-,14+/m0/s1
InChIKey	YGJUOEUHCDNDOM-GXTWGEPZSA-N
Molecular Weight	311.297 g/mol
SMILES	[C@@]12([C@](C(C=3c4c(cccc4)OC(C3)=O)=NN1C)(C(=O)N(C2=O)C)[H])[H]
SPLASH	splash10-03dj-0926000000-ac47d4d7c4708a3ddeb6
Source of Spectrum	Y-38-721-13
Synonyms	(3aR,6aR)-1,5-dimethyl-3-(2-oxo-1-benzopyran-4-yl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione (3aR,6aR)-1,5-dimethyl-3-(2-oxochromen-4-yl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione (3aR,6aR)-1,5-dimethyl-3-(2-oxidanylidenechromen-4-yl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
Wiley ID	848484