1-[4-[2,3,4,5,6-PENTA-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-ETHOXYCARBONYLHYDRAZONE

SpectraBase Compound ID	AljwHgJPr4
InChI	InChI=1S/C78H90N12O18/c1-13-97-73(91)85-79-49(7)55-19-31-61(32-20-55)103-43-67-68(44-104-62-33-21-56(22-34-62)50(8)80-86-74(92)98-14-2)70(46-106-64-37-25-58(26-38-64)52(10)82-88-76(94)100-16-4)72(48-108-66-41-29-60(30-42-66)54(12)84-90-78(96)102-18-6)71(47-107-65-39-27-59(28-40-65)53(11)83-89-77(95)101-17-5)69(67)45-105-63-35-23-57(24-36-63)51(9)81-87-75(93)99-15-3/h19-42H,13-18,43-48H2,1-12H3,(H,85,91)(H,86,92)(H,87,93)(H,88,94)(H,89,95)(H,90,96)/b79-49+,80-50+,81-51+,82-52+,83-53+,84-54+
InChIKey	KDRLUGWLPSBACI-VWSISOIFSA-N Google Search
Mol Weight	1483.6 g/mol
Molecular Formula	C78H90N12O18
Exact Mass	1482.649604 g/mol

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SpectraBase Spectrum ID	CaNoKvAdB9s
Name	1-[4-[2,3,4,5,6-PENTA-(4-ACETYLPHENOXYMETHYL)-BEZYLOXY]-PHENYL]-1-ETHANONE-N-ETHOXYCARBONYLHYDRAZONE
Compound Number	4D
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C78H90N12O18
InChI	InChI=1S/C78H90N12O18/c1-13-97-73(91)85-79-49(7)55-19-31-61(32-20-55)103-43-67-68(44-104-62-33-21-56(22-34-62)50(8)80-86-74(92)98-14-2)70(46-106-64-37-25-58(26-38-64)52(10)82-88-76(94)100-16-4)72(48-108-66-41-29-60(30-42-66)54(12)84-90-78(96)102-18-6)71(47-107-65-39-27-59(28-40-65)53(11)83-89-77(95)101-17-5)69(67)45-105-63-35-23-57(24-36-63)51(9)81-87-75(93)99-15-3/h19-42H,13-18,43-48H2,1-12H3,(H,85,91)(H,86,92)(H,87,93)(H,88,94)(H,89,95)(H,90,96)/b79-49+,80-50+,81-51+,82-52+,83-53+,84-54+
InChIKey	KDRLUGWLPSBACI-VWSISOIFSA-N
Literature Reference Author	M.AL-SMADI,S.RATROUT
Literature Reference Citation	J.HETCYCL.CHEM.,41,887(2004)
Literature Reference DOI	10.1002/jhet.5570410607
Molecular Weight	1483.642 g/mol
Solvent	DMSO-D6
Source File Reference	UWLU22518