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3-Amino-4-[3'-(N'-phthalimidyl)propyl]-1,2,4-oxadiazol-5-one
SpectraBase Compound ID JM4Yz1PPusQ
InChI InChI=1S/C13H12N4O4/c14-12-15-21-13(20)17(12)7-3-6-16-10(18)8-4-1-2-5-9(8)11(16)19/h1-2,4-5H,3,6-7H2,(H2,14,15)
InChIKey XUZLOUAGHCQUCM-UHFFFAOYSA-N
Mol Weight 288.26 g/mol
Molecular Formula C13H12N4O4
Exact Mass 288.085855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KN5ivbFXMIp
Name 3-Amino-4-[3'-(N'-phthalimidyl)propyl]-1,2,4-oxadiazol-5-one
Alternate Name(s) 2-[3-(3-amino-5-oxo-1,2,4-oxadiazol-4(5H)-yl)propyl]-1H-isoindole-1,3(2H)-dione 2-[3-(3-amino-5-oxo-1,2,4-oxadiazol-4-yl)propyl]isoindole-1,3-dione 2-[3-(3-amino-5-oxo-1,2,4-oxadiazol-4-yl)propyl]isoindoline-1,3-dione 2-[3-(3-azanyl-5-oxidanylidene-1,2,4-oxadiazol-4-yl)propyl]isoindole-1,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C13H12N4O4
InChI InChI=1S/C13H12N4O4/c14-12-15-21-13(20)17(12)7-3-6-16-10(18)8-4-1-2-5-9(8)11(16)19/h1-2,4-5H,3,6-7H2,(H2,14,15)
InChIKey XUZLOUAGHCQUCM-UHFFFAOYSA-N
Molecular Weight 288.263 g/mol
SMILES NC=1N(CCCN2C(c3ccccc3C2=O)=O)C(ON1)=O
SPLASH splash10-03dr-0950000000-cb58b26b96b381963126
Source of Spectrum D8-329-539-6
Wiley ID 1516309