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3-[2-(1-benzyl-4-piperidyl)ethyl]-6-bromo-1,2-benzoxazole
SpectraBase Compound ID LqmSz6T6GrA
InChI InChI=1S/C21H23BrN2O/c22-18-7-8-19-20(23-25-21(19)14-18)9-6-16-10-12-24(13-11-16)15-17-4-2-1-3-5-17/h1-5,7-8,14,16H,6,9-13,15H2
InChIKey SVVHWFKGOPNOLR-UHFFFAOYSA-N
Mol Weight 399.33 g/mol
Molecular Formula C21H23BrN2O
Exact Mass 398.099376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tNqq7XghrK
Name 3-[2-(1-benzyl-4-piperidyl)ethyl]-6-bromo-1,2-benzoxazole
Alternate Name(s) 3-[2-(1-benzyl-4-piperidyl)ethyl]-6-bromo-indoxazene 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-bromo-1,2-benzoxazole 6-bromanyl-3-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazole 6-bromo-3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-1,2-benzoxazole
Comments Less than 3 mono-isotopic peaks
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Formula C21H23BrN2O
InChI InChI=1S/C21H23BrN2O/c22-18-7-8-19-20(23-25-21(19)14-18)9-6-16-10-12-24(13-11-16)15-17-4-2-1-3-5-17/h1-5,7-8,14,16H,6,9-13,15H2
InChIKey SVVHWFKGOPNOLR-UHFFFAOYSA-N
Molecular Weight 399.332 g/mol
SMILES c1(noc2cc(ccc12)Br)CCC1CCN(CC1)Cc1ccccc1
SPLASH splash10-000i-0900000000-cdd2366f50bf6b3411ec
Source of Spectrum E1-37-2730-1
Wiley ID 1575122