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3-(4'-Methoxyphenyl)-4-(3a,4,5,7a-tetrahydrobenzo[d]isoxazol-3-yl)sydnone
SpectraBase Compound ID 4nnibdgwmsq
InChI InChI=1S/C16H15N3O4/c1-21-11-8-6-10(7-9-11)19-15(16(20)23-18-19)14-12-4-2-3-5-13(12)22-17-14/h3,5-9,12-13H,2,4H2,1H3
InChIKey YPLBGLCETGJFNO-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 KfZH5NdM4ii
Name 3-(4'-Methoxyphenyl)-4-(3a,4,5,7a-tetrahydrobenzo[d]isoxazol-3-yl)sydnone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O4
InChI InChI=1S/C16H15N3O4/c1-21-11-8-6-10(7-9-11)19-15(16(20)23-18-19)14-12-4-2-3-5-13(12)22-17-14/h3,5-9,12-13H,2,4H2,1H3
InChIKey YPLBGLCETGJFNO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100169
Molecular Weight 313.313 g/mol
SMILES c1([n+](noc1[O-])-c1ccc(cc1)OC)C1=NOC2C1CCC=C2
SPLASH splash10-0560-8980000000-f4bfddf7d42a458b00b8
Source of Spectrum QA-48-1150-9c
Synonyms 3-(4-Methoxyphenyl)-4-(3a,4,5,7a-tetrahydrobenzo[d]isoxazol-3-yl)-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 1795520