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(1S,4aS,7aS)-1,4-dimethyl-3-oxidanidyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d][1,2]oxazin-3-ium

View entire compound with spectra: 1 MS (GC)

(1S,4aS,7aS)-1,4-dimethyl-3-oxidanidyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d][1,2]oxazin-3-ium
SpectraBase Compound ID H6s6ulrv4yz
InChI InChI=1S/C9H15NO2/c1-6-8-4-3-5-9(8)7(2)12-10(6)11/h7-9H,3-5H2,1-2H3/t7-,8+,9+/m0/s1
InChIKey RESVLUBDQFZROY-DJLDLDEBSA-N
Mol Weight 169.22 g/mol
Molecular Formula C9H15NO2
Exact Mass 169.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B21eQyCAa48
Name (1S,4aS,7aS)-1,4-dimethyl-3-oxidanidyl-1,4a,5,6,7,7a-hexahydrocyclopenta[d][1,2]oxazin-3-ium
CAS Registry Number 133116-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO2
InChI InChI=1S/C9H15NO2/c1-6-8-4-3-5-9(8)7(2)12-10(6)11/h7-9H,3-5H2,1-2H3/t7-,8+,9+/m0/s1
InChIKey RESVLUBDQFZROY-DJLDLDEBSA-N
Molecular Weight 169.224 g/mol
SMILES [C@@]1(O[N+](=C([C@@]2([C@@]1(CCC2)[H])[H])C)[O-])(C)[H]
SPLASH splash10-014j-9000000000-3c7eccbd22d4416ac150
Source of Spectrum F-46-7389-0
Synonyms (1S,4aS,7aS)-1,4-dimethyl-3-oxido-1,4a,5,6,7,7a-hexahydrocyclopenta[d]oxazin-3-ium
Wiley ID 1165790