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3-Phenyl-4-(3a,6,7,7a-tetrahydro-5H-benzo[d]isoxazol-4-on-3-yl)sydnone
SpectraBase Compound ID MnLhLpktBv
InChI InChI=1S/C15H13N3O4/c19-10-7-4-8-11-12(10)13(16-21-11)14-15(20)22-17-18(14)9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,7-8H2
InChIKey JBKOTIUKUZJARU-UHFFFAOYSA-N
Mol Weight 299.29 g/mol
Molecular Formula C15H13N3O4
Exact Mass 299.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LsxlUE8NfW
Name 3-Phenyl-4-(3a,6,7,7a-tetrahydro-5H-benzo[d]isoxazol-4-on-3-yl)sydnone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3O4
InChI InChI=1S/C15H13N3O4/c19-10-7-4-8-11-12(10)13(16-21-11)14-15(20)22-17-18(14)9-5-2-1-3-6-9/h1-3,5-6,11-12H,4,7-8H2
InChIKey JBKOTIUKUZJARU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100169
Molecular Weight 299.286 g/mol
SMILES c1([n+](noc1[O-])-c1ccccc1)C1=NOC2C1C(CCC2)=O
SPLASH splash10-004l-9480000000-582f47e271cb35494b50
Source of Spectrum QA-48-1148-4a
Synonyms 4-(4-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-3-yl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 1795504