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5-Benzyl-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione-3-carboxylic acid butyl ester
SpectraBase Compound ID HW0JlksyxWC
InChI InChI=1S/C17H18N2O5/c1-2-3-9-23-17(22)13-12-14(24-18-13)16(21)19(15(12)20)10-11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3
InChIKey VHYCSHDMXXQJOQ-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 C38PxSIJh8Z
Name 5-Benzyl-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/c1-2-3-9-23-17(22)13-12-14(24-18-13)16(21)19(15(12)20)10-11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3
InChIKey VHYCSHDMXXQJOQ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 330.340 g/mol
Reported Formula C17H18N2O5
SMILES C1(=NOC2C1C(N(C2=O)Cc1ccccc1)=O)C(=O)OCCCC
SPLASH splash10-01ox-9080000000-80bc0e762b9519577806
Source of Spectrum CN107043387B
Wiley ID 1874787