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4-(4-Isobutyrylamino-phenoxy)-phthalic acid
SpectraBase Compound ID AzR2zyDP3vj
InChI InChI=1S/C18H17NO6/c1-10(2)16(20)19-11-3-5-12(6-4-11)25-13-7-8-14(17(21)22)15(9-13)18(23)24/h3-10H,1-2H3,(H,19,20)(H,21,22)(H,23,24)
InChIKey QORIEEJPPPLNAA-UHFFFAOYSA-N
Mol Weight 343.34 g/mol
Molecular Formula C18H17NO6
Exact Mass 343.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GyPVpnJq71
Name 4-(4-Isobutyrylamino-phenoxy)-phthalic acid
Alternate Name(s) 4-[4-(2-methylpropanoylamino)phenoxy]phthalic acid 4-[4-[(2-methyl-1-oxopropyl)amino]phenoxy]phthalic acid
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Formula C18H17NO6
InChI InChI=1S/C18H17NO6/c1-10(2)16(20)19-11-3-5-12(6-4-11)25-13-7-8-14(17(21)22)15(9-13)18(23)24/h3-10H,1-2H3,(H,19,20)(H,21,22)(H,23,24)
InChIKey QORIEEJPPPLNAA-UHFFFAOYSA-N
Molecular Weight 343.335 g/mol
SMILES OC(c1c(cc(Oc2ccc(NC(=O)C(C)C)cc2)cc1)C(=O)O)=O
SPLASH splash10-0a4l-9351000000-6a814f2847a6140794f6
Wiley ID 1450423