(2Z)-3-METHOXY-2-[(PROPYLAMINO)-METHYLENE]-5-(1H-PYRROL-2'-YL)-2H-PYRROLIUM-ACETATE

SpectraBase Compound ID	Jr9Bl2TdaKw
InChI	InChI=1S/C13H17N3O.C2H4O2/c1-3-6-14-9-12-13(17-2)8-11(16-12)10-5-4-7-15-10;1-2(3)4/h4-5,7-9,14-15H,3,6H2,1-2H3;1H3,(H,3,4)/b12-9+;
InChIKey	MKBAJGLMGGSLIG-NBYYMMLRSA-N Google Search
Mol Weight	291.35 g/mol
Molecular Formula	C15H21N3O3
Exact Mass	291.158292 g/mol

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SpectraBase Spectrum ID	KyJCU4SE30I
Name	3-Methoxy-2-[(propylamino)methylene-5(1H-pyrrol-2'-yl)-2H-pyrrolium acetate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H21N3O3
InChI	InChI=1S/C13H17N3O.C2H4O2/c1-3-6-14-9-12-13(17-2)8-11(16-12)10-5-4-7-15-10;1-2(3)4/h4-5,7-9,14-15H,3,6H2,1-2H3;1H3,(H,3,4)/b12-9+;
InChIKey	MKBAJGLMGGSLIG-NBYYMMLRSA-N
Molecular Weight	291.351 g/mol
SMILES	C([O-])(=O)C.[nH]1cccc1C1=[NH+]\C(=C\NCCC)C(=C1)OC
SPLASH	splash10-001o-0990000000-7180a69bb92e6a2fcb88
Source of Spectrum	B-54-358-16
Wiley ID	840853