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3-Phenyl-4-(7a-morpholin-4-yl-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-3-yl)sydnone
SpectraBase Compound ID 6lqbhg5aEar
InChI InChI=1S/C19H22N4O4/c24-18-17(23(21-26-18)14-6-2-1-3-7-14)16-15-8-4-5-9-19(15,27-20-16)22-10-12-25-13-11-22/h1-3,6-7,15H,4-5,8-13H2
InChIKey ICMCDKAWTKQRFG-UHFFFAOYSA-N
Mol Weight 370.41 g/mol
Molecular Formula C19H22N4O4
Exact Mass 370.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ckX8Ib29mP
Name 3-Phenyl-4-(7a-morpholin-4-yl-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-3-yl)sydnone
Alternate Name(s) 4-(7a-morpholino-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-3-yl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N4O4
InChI InChI=1S/C19H22N4O4/c24-18-17(23(21-26-18)14-6-2-1-3-7-14)16-15-8-4-5-9-19(15,27-20-16)22-10-12-25-13-11-22/h1-3,6-7,15H,4-5,8-13H2
InChIKey ICMCDKAWTKQRFG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100169
Molecular Weight 370.409 g/mol
SMILES c1([n+](noc1[O-])-c1ccccc1)C1=NOC2(C1CCCC2)N1CCOCC1
SPLASH splash10-004i-9851000000-f8676b266a0f3b133f42
Source of Spectrum QA-48-1149-7a
Wiley ID 1795512