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3-[3-(Dimethylamino)propyl]-4-[(1-hydroxy-3-methyl-6-phenyl)-5-hexenyl]sydnone
SpectraBase Compound ID 8ftvY2Fhz5u
InChI InChI=1S/C20H29N3O3/c1-16(9-7-12-17-10-5-4-6-11-17)15-18(24)19-20(25)26-21-23(19)14-8-13-22(2)3/h4-7,10-12,16,18,24H,8-9,13-15H2,1-3H3/b12-7+
InChIKey XOUKFDHWSMHEHU-KPKJPENVSA-N
Mol Weight 359.47 g/mol
Molecular Formula C20H29N3O3
Exact Mass 359.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9mhUEVotQd
Name 3-[3-(Dimethylamino)propyl]-4-[(1-hydroxy-3-methyl-6-phenyl)-5-hexenyl]sydnone
Comments Removed - expert review: contamination (acetone))
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Formula C20H29N3O3
InChI InChI=1S/C20H29N3O3/c1-16(9-7-12-17-10-5-4-6-11-17)15-18(24)19-20(25)26-21-23(19)14-8-13-22(2)3/h4-7,10-12,16,18,24H,8-9,13-15H2,1-3H3/b12-7+
InChIKey XOUKFDHWSMHEHU-KPKJPENVSA-N
Molecular Weight 359.470 g/mol
SMILES OC(c1[n+](noc1[O-])CCCN(C)C)CC(C\C=C\c1ccccc1)C
SPLASH splash10-0a4i-9000000000-237cdece10157697ae04
Source of Spectrum SO-0-1776-5
Synonyms 3-[3-(Dimethylamino)propyl]-4-[(1-hydroxy-3-methyl-6-phenyl)-5-hexyl]sydnone 3-[3-(dimethylamino)propyl]-4-[(5E)-1-hydroxy-3-methyl-6-phenyl-5-hexenyl]-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 878743