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1-[4-(Bromomethyl)phenyl]spiro[adamantane-2,4'-azetidine]-2'-one
SpectraBase Compound ID JYgIeYxVgUJ
InChI InChI=1S/C19H22BrNO/c20-11-12-1-3-15(4-2-12)18-8-13-5-14(9-18)7-16(6-13)19(18)10-17(22)21-19/h1-4,13-14,16H,5-11H2,(H,21,22)/t13-,14+,16-,18+,19-/m1/s1
InChIKey PHGMVPRHLKCUHE-RHHMJZNLSA-N
Mol Weight 360.3 g/mol
Molecular Formula C19H22BrNO
Exact Mass 359.088477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyqH4i9Q93e
Name 1-[4-(Bromomethyl)phenyl]spiro[adamantane-2,4'-azetidine]-2'-one
Comments Structure changed after expert review
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Formula C19H22BrNO
InChI InChI=1S/C19H22BrNO/c20-11-12-1-3-15(4-2-12)18-8-13-5-14(9-18)7-16(6-13)19(18)10-17(22)21-19/h1-4,13-14,16H,5-11H2,(H,21,22)/t13-,14+,16-,18+,19-/m1/s1
InChIKey PHGMVPRHLKCUHE-RHHMJZNLSA-N
Molecular Weight 360.295 g/mol
SMILES N1C(C[C@@]11[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])c1ccc(cc1)CBr)=O
SPLASH splash10-0fa9-2930000000-6eaa99d6fe84f5cf051e
Source of Spectrum O-23-284-7
Synonyms 3'-(4-Bromomethylphenyl)-spiro(azetidin-2-one-4,2'-tricyclo(3,3,1,1(3,7))decane
Wiley ID 1347752