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3-Phenyl-4-(3a,4,5,7a-tetrahydrobenzo[d]isoxazol-3-yl)sydnone
SpectraBase Compound ID 2ou3JrGh6n6
InChI InChI=1S/C15H13N3O3/c19-15-14(13-11-8-4-5-9-12(11)20-16-13)18(17-21-15)10-6-2-1-3-7-10/h1-3,5-7,9,11-12H,4,8H2
InChIKey UCEQKGIWXPOTKE-UHFFFAOYSA-N
Mol Weight 283.29 g/mol
Molecular Formula C15H13N3O3
Exact Mass 283.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11N27avwxmC
Name 3-Phenyl-4-(3a,4,5,7a-tetrahydrobenzo[d]isoxazol-3-yl)sydnone
Alternate Name(s) 3-Phenyl-4-(3a,4,5,7a-tetrahydrobenzo[d]isoxazol-3-yl)-1,2,3-oxadiazol-3-ium-5-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3O3
InChI InChI=1S/C15H13N3O3/c19-15-14(13-11-8-4-5-9-12(11)20-16-13)18(17-21-15)10-6-2-1-3-7-10/h1-3,5-7,9,11-12H,4,8H2
InChIKey UCEQKGIWXPOTKE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100169
Molecular Weight 283.287 g/mol
SMILES c1([n+](noc1[O-])-c1ccccc1)C1=NOC2C1CCC=C2
SPLASH splash10-004i-9440000000-0b35cef720879b886011
Source of Spectrum QA-48-1150-9a
Wiley ID 1795518