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4-Azatricyclo[4.3.1.13,8]undecan-5-one, 2-bromo-, (1.alpha.,2.beta.,3.beta.,6.alpha.,8.beta.)-
SpectraBase Compound ID HMBgPGK8dZc
InChI InChI=1S/C10H14BrNO/c11-9-6-1-5-2-7(4-6)10(13)12-8(9)3-5/h5-9H,1-4H2,(H,12,13)/t5-,6+,7-,8+,9+/m0/s1
InChIKey ANKITIPUMONWLJ-KVEIKIFDSA-N
Mol Weight 244.13 g/mol
Molecular Formula C10H14BrNO
Exact Mass 243.025877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQFIsplv84D
Name 4-Azatricyclo[4.3.1.13,8]undecan-5-one, 2-bromo-, (1.alpha.,2.beta.,3.beta.,6.alpha.,8.beta.)-
CAS Registry Number 86729-17-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14BrNO
InChI InChI=1S/C10H14BrNO/c11-9-6-1-5-2-7(4-6)10(13)12-8(9)3-5/h5-9H,1-4H2,(H,12,13)/t5-,6+,7-,8+,9+/m0/s1
InChIKey ANKITIPUMONWLJ-KVEIKIFDSA-N
Molecular Weight 244.132 g/mol
SMILES N1[C@]2([C@@]([C@]3(C[C@@](C1=O)(C[C@@](C2)(C3)[H])[H])[H])(Br)[H])[H]
SPLASH splash10-03di-3940000000-804c1f7307c694ab9bf8
Source of Spectrum J-48-3570-0
Synonyms (1R,2R,3S,6S,8S)-2-bromo-4-azatricyclo[4.3.1.1(3,8)]undecan-5-one 2-anti-Bromo-4-aza-5-homoadamantan-5-one
Wiley ID 1245848