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(3aR,4R,5S,7aR)-4-ethoxy-2,5-dimethyl-5-oxidanyl-4,7a-dihydro-3aH-isoindole-1,3-dione
SpectraBase Compound ID 65p6VFvOyMF
InChI InChI=1S/C12H17NO4/c1-4-17-9-8-7(5-6-12(9,2)16)10(14)13(3)11(8)15/h5-9,16H,4H2,1-3H3/t7-,8-,9-,12+/m1/s1
InChIKey LBAIHKVGUWNZOR-HNBLOZHYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Gr7agfu0GN
Name (3aR,4R,5S,7aR)-4-ethoxy-2,5-dimethyl-5-oxidanyl-4,7a-dihydro-3aH-isoindole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-4-17-9-8-7(5-6-12(9,2)16)10(14)13(3)11(8)15/h5-9,16H,4H2,1-3H3/t7-,8-,9-,12+/m1/s1
InChIKey LBAIHKVGUWNZOR-HNBLOZHYSA-N
Molecular Weight 239.271 g/mol
SMILES O[C@@]1([C@@]([C@@]2(C(N(C(=O)[C@@]2(C=C1)[H])C)=O)[H])(OCC)[H])C
SPLASH splash10-002b-9600000000-c938948f693739833cca
Source of Spectrum J-59-3425-5
Synonyms (3aR,4R,5S,7aR)-4-ethoxy-5-hydroxy-2,5-dimethyl-4,7a-dihydro-3aH-isoindole-1,3-dione (3aR,4R,5S,7aR)-4-ethoxy-5-hydroxy-2,5-dimethyl-4,7a-dihydro-3aH-isoindole-1,3-quinone
Wiley ID 1241852