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3H,6H-2,5a-Methano-1,2-benzoxazepine, hexahydro-, (2.alpha.,5a.alpha.,9a.beta.)-(.+-.)-
SpectraBase Compound ID IHxnqzbo6OT
InChI InChI=1S/C10H17NO/c1-2-5-10-6-3-7-11(8-10)12-9(10)4-1/h9H,1-8H2/t9-,10+/m1/s1
InChIKey UGQZCCOMGSLKNF-ZJUUUORDSA-N
Mol Weight 167.25 g/mol
Molecular Formula C10H17NO
Exact Mass 167.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAkgc7zdrts
Name 3H,6H-2,5a-Methano-1,2-benzoxazepine, hexahydro-, (2.alpha.,5a.alpha.,9a.beta.)-(.+-.)-
Alternate Name(s) (1S,6R)-7-oxa-8-azatricyclo[6.3.1.0(1,6)]dodecane (2.alpha.,5a.alpha.,9a.beta.)-(.+-.)-Hexahydro-3H,6H-2,5a-methano-1,2-benzazepine
CAS Registry Number 89398-19-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17NO
InChI InChI=1S/C10H17NO/c1-2-5-10-6-3-7-11(8-10)12-9(10)4-1/h9H,1-8H2/t9-,10+/m1/s1
InChIKey UGQZCCOMGSLKNF-ZJUUUORDSA-N
Molecular Weight 167.252 g/mol
SMILES [C@@]12(ON3C[C@]1(CCCC2)CCC3)[H]
SPLASH splash10-0006-9200000000-558abf63226ac91274d8
Source of Spectrum J-49-1691-0
Wiley ID 1163696