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3-(4'-Methylphenyl)-4-(7a-morpholin-4-yl-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-3-yl)sydnone
SpectraBase Compound ID GKvwZ8PWorz
InChI InChI=1S/C20H24N4O4/c1-14-5-7-15(8-6-14)24-18(19(25)27-22-24)17-16-4-2-3-9-20(16,28-21-17)23-10-12-26-13-11-23/h5-8,16H,2-4,9-13H2,1H3
InChIKey FXOKQYHMQNSOIU-UHFFFAOYSA-N
Mol Weight 384.44 g/mol
Molecular Formula C20H24N4O4
Exact Mass 384.179755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jt0hbxLzPoV
Name 3-(4'-Methylphenyl)-4-(7a-morpholin-4-yl-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-3-yl)sydnone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N4O4
InChI InChI=1S/C20H24N4O4/c1-14-5-7-15(8-6-14)24-18(19(25)27-22-24)17-16-4-2-3-9-20(16,28-21-17)23-10-12-26-13-11-23/h5-8,16H,2-4,9-13H2,1H3
InChIKey FXOKQYHMQNSOIU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100169
Molecular Weight 384.436 g/mol
SMILES c1([n+](noc1[O-])-c1ccc(cc1)C)C1=NOC2(C1CCCC2)N1CCOCC1
SPLASH splash10-00kf-7930000000-987f5cb3cdf03d0d6bb9
Source of Spectrum QA-48-1149-7b
Synonyms 4-(7a-morpholino-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-3-yl)-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 1795513