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5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione-3-carboxylic acid butyl ester
SpectraBase Compound ID LKiDMG29tlr
InChI InChI=1S/C17H18N2O5/c1-3-4-9-23-17(22)13-12-14(24-18-13)16(21)19(15(12)20)11-7-5-10(2)6-8-11/h5-8,12,14H,3-4,9H2,1-2H3
InChIKey RTBPAPQVJSJJHM-UHFFFAOYSA-N
Mol Weight 330.34 g/mol
Molecular Formula C17H18N2O5
Exact Mass 330.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dyi99csu6dM
Name 5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione-3-carboxylic acid butyl ester
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Formula C17H18N2O5
InChI InChI=1S/C17H18N2O5/c1-3-4-9-23-17(22)13-12-14(24-18-13)16(21)19(15(12)20)11-7-5-10(2)6-8-11/h5-8,12,14H,3-4,9H2,1-2H3
InChIKey RTBPAPQVJSJJHM-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 330.340 g/mol
Reported Formula C17H18N2O5
SMILES C1(=NOC2C1C(N(C2=O)c1ccc(cc1)C)=O)C(=O)OCCCC
SPLASH splash10-03e9-0690000000-f0526fe0e6c33de6270e
Source of Spectrum CN107043387B
Wiley ID 1874791