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Isoxazole, 4,5-dihydro-5-methyl-3,5-bis(4-nitrophenyl)-, 2-oxide
SpectraBase Compound ID KkOH6eP1Xml
InChI InChI=1S/C16H13N3O6/c1-16(12-4-8-14(9-5-12)18(22)23)10-15(19(24)25-16)11-2-6-13(7-3-11)17(20)21/h2-9H,10H2,1H3
InChIKey APHJSYZPHVZXCA-UHFFFAOYSA-N
Mol Weight 343.3 g/mol
Molecular Formula C16H13N3O6
Exact Mass 343.080435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tVEDuOd3Tq
Name Isoxazole, 4,5-dihydro-5-methyl-3,5-bis(4-nitrophenyl)-, 2-oxide
Alternate Name(s) 5-Methyl-3,5-bis(4-nitrophenyl)-4,5-dihydroisoxazole 2-oxide 5-Methyl-3,5-bis(p-nitrophenyl)-2-isoxazoline N-oxide
CAS Registry Number 72511-19-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O6
InChI InChI=1S/C16H13N3O6/c1-16(12-4-8-14(9-5-12)18(22)23)10-15(19(24)25-16)11-2-6-13(7-3-11)17(20)21/h2-9H,10H2,1H3
InChIKey APHJSYZPHVZXCA-UHFFFAOYSA-N
Molecular Weight 343.295 g/mol
SMILES C1(O[N+](=C(C1)c1ccc(N(=O)=O)cc1)[O-])(c1ccc(N(=O)=O)cc1)C
SPLASH splash10-0udl-8902000000-c5cf61ee1428b2acbbf0
Source of Spectrum B-32-1505-0
Wiley ID 1337167