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2-{3'-[4"-(5"'-Methyl-4"'-oxopyrazol-3"'-yl)phenoxy]propyl}-isoindoline-1,3-dione - N',N"-dioxide
SpectraBase Compound ID AsxjxIKG7J9
InChI InChI=1S/C21H17N3O6/c1-13-19(25)18(24(29)23(13)28)14-7-9-15(10-8-14)30-12-4-11-22-20(26)16-5-2-3-6-17(16)21(22)27/h2-3,5-10H,4,11-12H2,1H3
InChIKey CVMBQMMRXCNBPO-UHFFFAOYSA-N
Mol Weight 407.38 g/mol
Molecular Formula C21H17N3O6
Exact Mass 407.111735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJHuuF75Orj
Name 2-{3'-[4"-(5"'-Methyl-4"'-oxopyrazol-3"'-yl)phenoxy]propyl}-isoindoline-1,3-dione - N',N"-dioxide
Alternate Name(s) 2-{3-[4-(5-methyl-1,2-dioxido-4-oxo-4H-pyrazol-3-yl)phenoxy]propyl}-1H-isoindole-1,3(2H)-dione 2-[3-[4-(5-methyl-1,2-dioxido-4-oxo-3-pyrazole-1,2-diiumyl)phenoxy]propyl]isoindole-1,3-dione 2-[3-[4-(5-methyl-1,2-dioxido-4-oxopyrazole-1,2-diium-3-yl)phenoxy]propyl]isoindole-1,3-dione 2-[3-[4-(5-methyl-1,2-dioxido-4-oxo-pyrazole-1,2-diium-3-yl)phenoxy]propyl]isoindoline-1,3-dione 2-[3-[4-[5-methyl-1,2-bis(oxidanidyl)-4-oxidanylidene-pyrazole-1,2-diium-3-yl]phenoxy]propyl]isoindole-1,3-dione
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Formula C21H17N3O6
InChI InChI=1S/C21H17N3O6/c1-13-19(25)18(24(29)23(13)28)14-7-9-15(10-8-14)30-12-4-11-22-20(26)16-5-2-3-6-17(16)21(22)27/h2-3,5-10H,4,11-12H2,1H3
InChIKey CVMBQMMRXCNBPO-UHFFFAOYSA-N
Molecular Weight 407.382 g/mol
SMILES C1(=[N+]([N+](=C(C1=O)c1ccc(cc1)OCCCN1C(c2ccccc2C1=O)=O)[O-])[O-])C
SPLASH splash10-000i-0900000000-13f71e5b96387929778e
Source of Spectrum D8-328-768-22
Wiley ID 1516024