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5-cyclopropyl-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione-3-carboxylic acid butyl ester
SpectraBase Compound ID IHl4tcaQjHL
InChI InChI=1S/C13H16N2O5/c1-2-3-6-19-13(18)9-8-10(20-14-9)12(17)15(11(8)16)7-4-5-7/h7-8,10H,2-6H2,1H3
InChIKey SQALZBSBOIDVOV-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C13H16N2O5
Exact Mass 280.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gMCxj4jlqB
Name 5-cyclopropyl-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione-3-carboxylic acid butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O5
InChI InChI=1S/C13H16N2O5/c1-2-3-6-19-13(18)9-8-10(20-14-9)12(17)15(11(8)16)7-4-5-7/h7-8,10H,2-6H2,1H3
InChIKey SQALZBSBOIDVOV-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 280.280 g/mol
Reported Formula C13H16N2O5
SMILES C1(=NOC2C1C(N(C2=O)C1CC1)=O)C(=O)OCCCC
SPLASH splash10-0a4r-9400000000-2e95daf91d216f1feff7
Source of Spectrum CN107043387B
Wiley ID 1874789