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3-(4'-Methoxyphenyl)-4-(3a,6,7,7a-tetrahydro-5H-benzo[d]isoxazol-4-on-3-yl)sydnone
SpectraBase Compound ID GE2I63Kjs7a
InChI InChI=1S/C16H15N3O5/c1-22-10-7-5-9(6-8-10)19-15(16(21)24-18-19)14-13-11(20)3-2-4-12(13)23-17-14/h5-8,12-13H,2-4H2,1H3
InChIKey ULASDAFNZKSXEN-UHFFFAOYSA-N
Mol Weight 329.31 g/mol
Molecular Formula C16H15N3O5
Exact Mass 329.101171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxprwrtVOnp
Name 3-(4'-Methoxyphenyl)-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 C16H15N3O5
InChI InChI=1S/C16H15N3O5/c1-22-10-7-5-9(6-8-10)19-15(16(21)24-18-19)14-13-11(20)3-2-4-12(13)23-17-14/h5-8,12-13H,2-4H2,1H3
InChIKey ULASDAFNZKSXEN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100169
Molecular Weight 329.312 g/mol
SMILES c1([n+](noc1[O-])-c1ccc(cc1)OC)C1=NOC2C1C(CCC2)=O
SPLASH splash10-00b9-4590000000-420837270fc5ef106d62
Source of Spectrum QA-48-1148-4c
Synonyms 3-(4-Methoxyphenyl)-4-(4-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-3-yl)-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 1795506