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3-Phenyl-4-(7a-methyl-3a,6,7,7a-tetrahydro-5H-benzo[d]isoxazol-4-on-3-yl)sydnone
SpectraBase Compound ID s4fPCYvJjy
InChI InChI=1S/C16H15N3O4/c1-16-9-5-8-11(20)12(16)13(17-23-16)14-15(21)22-18-19(14)10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3
InChIKey VMLBMPSDSCQPDW-UHFFFAOYSA-N
Mol Weight 313.31 g/mol
Molecular Formula C16H15N3O4
Exact Mass 313.106256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JofV3jKPhCC
Name 3-Phenyl-4-(7a-methyl-3a,6,7,7a-tetrahydro-5H-benzo[d]isoxazol-4-on-3-yl)sydnone
Alternate Name(s) 4-(7a-methyl-4-oxo-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 C16H15N3O4
InChI InChI=1S/C16H15N3O4/c1-16-9-5-8-11(20)12(16)13(17-23-16)14-15(21)22-18-19(14)10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3
InChIKey VMLBMPSDSCQPDW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100169
Molecular Weight 313.313 g/mol
SMILES c1([n+](noc1[O-])-c1ccccc1)C1=NOC2(C1C(CCC2)=O)C
SPLASH splash10-004i-9010000000-cdcd0d6a33f897d1a082
Source of Spectrum QA-48-1149-6a
Wiley ID 1795509