2-[alpha-(2,4,6-Trinitrophenyl)phenacyl]isoquinolinium picrate

SpectraBase Compound ID	78gOAvi7EYv
InChI	InChI=1S/C23H15N4O7.C6H3N3O7/c28-23(16-7-2-1-3-8-16)22(24-11-10-15-6-4-5-9-17(15)14-24)21-19(26(31)32)12-18(25(29)30)13-20(21)27(33)34;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-14,22H;1-2,10H/q+1;/p-1
InChIKey	KOFTYHJBACEZPI-UHFFFAOYSA-M Google Search
Mol Weight	687.49 g/mol
Molecular Formula	C29H17N7O14
Exact Mass	687.083348 g/mol

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SpectraBase Spectrum ID	FEETIU4YKEE
Name	2-[alpha-(2,4,6-TRINITROPHENYL)PHENACYL]ISOQUINOLINIUM PICRATE
Source of Sample	F. Kroehnke, Justus Liebig-Universitat, Giessen, Germany
Copyright	Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H17N7O14
InChI	InChI=1S/C23H15N4O7.C6H3N3O7/c28-23(16-7-2-1-3-8-16)22(24-11-10-15-6-4-5-9-17(15)14-24)21-19(26(31)32)12-18(25(29)30)13-20(21)27(33)34;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-14,22H;1-2,10H/q+1;/p-1
InChIKey	KOFTYHJBACEZPI-UHFFFAOYSA-M
Literature Reference	Abstract-Chemical Abstracts= 66, 18643(1967)
Melting Point	106-107C (dec.)
Molecular Weight	687.489990
Synonyms	ISOQUINOLINIUM PICRATE, 2-/A- /2,4,6-TRINITROPHENYL/PHENACYL/-,
Technique	KBr WAFER