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4-Azatricyclo[4.3.1.13,8]undecan-5-one, 2-chloro-, (1.alpha.,2.beta.,3.beta.,6.alpha.,8.beta.)-
SpectraBase Compound ID 75JRAhMBKrM
InChI InChI=1S/C10H14ClNO/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 RVUVGUZZHQSPMD-OAHBRNHXSA-N
Mol Weight 199.68 g/mol
Molecular Formula C10H14ClNO
Exact Mass 199.076392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qgxmVjvPN9
Name 4-Azatricyclo[4.3.1.13,8]undecan-5-one, 2-chloro-, (1.alpha.,2.beta.,3.beta.,6.alpha.,8.beta.)-
CAS Registry Number 86729-16-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14ClNO
InChI InChI=1S/C10H14ClNO/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 RVUVGUZZHQSPMD-OAHBRNHXSA-N
Molecular Weight 199.681 g/mol
SMILES N1[C@]2([C@@]([C@@]3(C[C@@](C1=O)(C[C@@](C2)(C3)[H])[H])[H])(Cl)[H])[H]
SPLASH splash10-03dr-1900000000-308124f553d92b2489c7
Source of Spectrum F-41-3759-7
Synonyms 2-endo-chloro-4-azahomoadamantan-5-one (1S,2R,3S,6S,8S)-2-chloro-4-azatricyclo[4.3.1.1(3,8)]undecan-5-one 2-Anti-chloro-4-aza-5-homoadamantan-5-one
Wiley ID 1196618