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2H,5H,8H-1,4,7-Trioxa-9b-azaphenalene, hexahydro-, (3.alpha.,6a.alpha.,9a.alpha.)-
SpectraBase Compound ID BDMFDxE0PUE
InChI InChI=1S/C9H15NO3/c1-4-11-8-3-6-13-9-2-5-12-7(1)10(8)9/h7-9H,1-6H2/t7-,8-,9-/m1/s1
InChIKey GHDUNNVEMYALMP-IWSPIJDZSA-N
Mol Weight 185.22 g/mol
Molecular Formula C9H15NO3
Exact Mass 185.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rWwcK1Xf5c
Name 2H,5H,8H-1,4,7-Trioxa-9b-azaphenalene, hexahydro-, (3.alpha.,6a.alpha.,9a.alpha.)-
CAS Registry Number 58691-14-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO3
InChI InChI=1S/C9H15NO3/c1-4-11-8-3-6-13-9-2-5-12-7(1)10(8)9/h7-9H,1-6H2/t7-,8-,9-/m1/s1
InChIKey GHDUNNVEMYALMP-IWSPIJDZSA-N
Molecular Weight 185.223 g/mol
SMILES [C@@]12(N3[C@@](CCO2)(OCC[C@]3(OCC1)[H])[H])[H]
SPLASH splash10-0a4i-1900000000-53497efa10f3a11dfc6f
Source of Spectrum K-109-657-0
Synonyms (3aR,6aR,9aR)-hexahydro-2H,5H,8H-1,4,7-trioxa-9b-azaphenalene 2,6,10-Trioxa-13-azatricyclo(7.3.1.0*5,13)tridecane
Wiley ID 1181823