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3-[3-(1-Phenylmethyl)-4-piperidinyl]propyl]-1,2-benzisoxazole
SpectraBase Compound ID DY0OTQ8qZcV
InChI InChI=1S/C22H26N2O/c1-2-7-19(8-3-1)17-24-15-13-18(14-16-24)9-6-11-21-20-10-4-5-12-22(20)25-23-21/h1-5,7-8,10,12,18H,6,9,11,13-17H2
InChIKey WNFJUFWSHLTWLJ-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C22H26N2O
Exact Mass 334.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KBIfmTUWD
Name 3-[3-(1-Phenylmethyl)-4-piperidinyl]propyl]-1,2-benzisoxazole
Comments Less than 3 mono-isotopic peaks
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Formula C22H26N2O
InChI InChI=1S/C22H26N2O/c1-2-7-19(8-3-1)17-24-15-13-18(14-16-24)9-6-11-21-20-10-4-5-12-22(20)25-23-21/h1-5,7-8,10,12,18H,6,9,11,13-17H2
InChIKey WNFJUFWSHLTWLJ-UHFFFAOYSA-N
Molecular Weight 334.463 g/mol
SMILES c12onc(c1cccc2)CCCC1CCN(CC1)Cc1ccccc1
SPLASH splash10-00di-0902000000-0e05fbd3d6e1a03a3932
Source of Spectrum E1-37-2731-7
Synonyms 3-[3-[1-(phenylmethyl)-4-piperidinyl]propyl]-1,2-benzoxazole 3-[3-(1-benzylpiperidin-4-yl)propyl]-1,2-benzoxazole 3-[3-(1-benzyl-4-piperidyl)propyl]-1,2-benzoxazole 3-[3-[1-(phenylmethyl)piperidin-4-yl]propyl]-1,2-benzoxazole
Wiley ID 1575223