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1H-Isoindole-1,3(2H)-dione, 2-(3-methylbutyl)-4-nitro-
SpectraBase Compound ID F4F0Snnb6Cz
InChI InChI=1S/C13H14N2O4/c1-8(2)6-7-14-12(16)9-4-3-5-10(15(18)19)11(9)13(14)17/h3-5,8H,6-7H2,1-2H3
InChIKey DTPUJITUJCLNIS-UHFFFAOYSA-N
Mol Weight 262.26 g/mol
Molecular Formula C13H14N2O4
Exact Mass 262.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EThieAWIg3i
Name 1H-Isoindole-1,3(2H)-dione, 2-(3-methylbutyl)-4-nitro-
Alternate Name(s) 2-Isopentyl-4-nitro-1H-isoindole-1,3(2H)-dione 2-(3-Methylbutyl)-4-nitroisoindole-1,3-dione 2-(3-Methylbutyl)-4-nitro-isoindole-1,3-dione 2-isoamyl-4-nitro-isoindoline-1,3-quinone 2-isopentyl-4-nitro-isoindoline-1,3-dione
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Formula C13H14N2O4
InChI InChI=1S/C13H14N2O4/c1-8(2)6-7-14-12(16)9-4-3-5-10(15(18)19)11(9)13(14)17/h3-5,8H,6-7H2,1-2H3
InChIKey DTPUJITUJCLNIS-UHFFFAOYSA-N
Molecular Weight 262.265 g/mol
SMILES CC(CCN1C(c2c(N(=O)=O)cccc2C1=O)=O)C
SPLASH splash10-0fba-7940000000-7805002710a6253c255f
Wiley ID 1455918