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3H-1,4:3,6-Dimethano-2,1-benzoxazepine, octahydro-8-methyl-, (3.alpha.,4.beta.,5a.beta.,6.alpha.,8.beta.,9a.beta.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

3H-1,4:3,6-Dimethano-2,1-benzoxazepine, octahydro-8-methyl-, (3.alpha.,4.beta.,5a.beta.,6.alpha.,8.beta.,9a.beta.)-(.+-.)-
SpectraBase Compound ID NOMt5QJvnj
InChI InChI=1S/C12H19NO/c1-7-2-8-5-12-9-4-10(8)11(3-7)13(6-9)14-12/h7-12H,2-6H2,1H3/t7-,8-,9+,10+,11-,12+/m1/s1
InChIKey DDUYHGOAOORGAH-IXJGYNTHSA-N
Mol Weight 193.29 g/mol
Molecular Formula C12H19NO
Exact Mass 193.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlHQhw3QWZm
Name 3H-1,4:3,6-Dimethano-2,1-benzoxazepine, octahydro-8-methyl-, (3.alpha.,4.beta.,5a.beta.,6.alpha.,8.beta.,9a.beta.)-(.+-.)-
CAS Registry Number 61119-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO
InChI InChI=1S/C12H19NO/c1-7-2-8-5-12-9-4-10(8)11(3-7)13(6-9)14-12/h7-12H,2-6H2,1H3/t7-,8-,9+,10+,11-,12+/m1/s1
InChIKey DDUYHGOAOORGAH-IXJGYNTHSA-N
Molecular Weight 193.290 g/mol
SMILES [C@]12(N3O[C@]4(C[C@]([C@@]2(C[C@]4(C3)[H])[H])(C[C@](C1)(C)[H])[H])[H])[H]
SPLASH splash10-002f-6900000000-971d15552733bcb6bcae
Source of Spectrum H-61-2761-0
Synonyms (1R,11R)-11-methyl-6-oxa-5-azatetracyclo[7.4.0(3,7).0(5,13)]tridecane (9R,12R)-12-methyl-4-oxa-5-azatetracyclo[7.4.0.0(3,7).0(5,10)]tridecane
Wiley ID 1189771