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Sydnone, 3-phenyl-4-[4-phenyl-5-(1-piperidinyl)-3-thienyl]-
SpectraBase Compound ID sYKaLj1nH3
InChI InChI=1S/C23H21N3O2S/c27-23-21(26(24-28-23)18-12-6-2-7-13-18)19-16-29-22(25-14-8-3-9-15-25)20(19)17-10-4-1-5-11-17/h1-2,4-7,10-13,16H,3,8-9,14-15H2
InChIKey QHSWRFWRHBYRBB-UHFFFAOYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C23H21N3O2S
Exact Mass 403.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1PmDlPfuZD
Name Sydnone, 3-phenyl-4-[4-phenyl-5-(1-piperidinyl)-3-thienyl]-
Alternate Name(s) 3-Phenyl-4-(4-phenyl-5-piperidino-3-thienyl)sydnone 3-Phenyl-4-[4-phenyl-5-(1-piperidinyl)-3-thienyl]-1,2,3-oxadiazol-3-ium-5-olate
CAS Registry Number 92825-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21N3O2S
InChI InChI=1S/C23H21N3O2S/c27-23-21(26(24-28-23)18-12-6-2-7-13-18)19-16-29-22(25-14-8-3-9-15-25)20(19)17-10-4-1-5-11-17/h1-2,4-7,10-13,16H,3,8-9,14-15H2
InChIKey QHSWRFWRHBYRBB-UHFFFAOYSA-N
Molecular Weight 403.500 g/mol
SMILES c1([n+](noc1[O-])-c1ccccc1)-c1c(c(N2CCCCC2)sc1)-c1ccccc1
SPLASH splash10-03di-9001000000-5bf2698e61ba157f82aa
Source of Spectrum AJ-57-1365-6
Wiley ID 1370899