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4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 2-(2,4-dinitrophenyl)hexahydro-3a-methyl-, [3aR-(3a.alpha.,4.beta.,7.beta.,7a.alpha.)]-
SpectraBase Compound ID x0SP1WPWuy
InChI InChI=1S/C15H13N3O7/c1-15-11-5-4-10(25-11)12(15)13(19)16(14(15)20)8-3-2-7(17(21)22)6-9(8)18(23)24/h2-3,6,10-12H,4-5H2,1H3/t10-,11+,12?,15+/m0/s1
InChIKey OTYYHYLFURVFTJ-CILLMYQWSA-N
Mol Weight 347.28 g/mol
Molecular Formula C15H13N3O7
Exact Mass 347.07535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WRveWQEkW8
Name 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 2-(2,4-dinitrophenyl)hexahydro-3a-methyl-, [3aR-(3a.alpha.,4.beta.,7.beta.,7a.alpha.)]-
CAS Registry Number 54346-09-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3O7
InChI InChI=1S/C15H13N3O7/c1-15-11-5-4-10(25-11)12(15)13(19)16(14(15)20)8-3-2-7(17(21)22)6-9(8)18(23)24/h2-3,6,10-12H,4-5H2,1H3/t10-,11+,12?,15+/m0/s1
InChIKey OTYYHYLFURVFTJ-CILLMYQWSA-N
Molecular Weight 347.283 g/mol
SMILES C[C@]12[C@]3(CC[C@@](C2C(N(c2ccc(cc2N(=O)=O)N(=O)=O)C1=O)=O)(O3)[H])[H]
SPLASH splash10-00lu-9010000000-0197bbed1a78abc9f2a8
Source of Spectrum H-57-56-22
Synonyms 2-(2,4-dinitrophenyl)-7a-methyl-4,5,6,7-tetrahydro-3aH-octahydro-1H-4,7-epoxyisoindole-1,3-dione
Wiley ID 1339887