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3-Acetoxy-2-(acetoxymethyl)tetrahydro[1,2]oxazolo[de]pyranocyclohexane
SpectraBase Compound ID CQNzNpC1JGA
InChI InChI=1S/C14H19NO6/c1-7(16)18-6-11-14(19-8(2)17)13-12-9(20-11)4-3-5-10(12)21-15-13/h9-12,14H,3-6H2,1-2H3/t9-,10+,11+,12-,14-/m0/s1
InChIKey NWTIFCZUVRGBHF-HXNLIRTISA-N
Mol Weight 297.31 g/mol
Molecular Formula C14H19NO6
Exact Mass 297.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gd9VKrBBcCn
Name 3-Acetoxy-2-(acetoxymethyl)tetrahydro[1,2]oxazolo[de]pyranocyclohexane
Alternate Name(s) Acetic acid (3R,4R,5aS,8aR,8bS)-4-acetoxymethyl-3,4,5a,6,7,8,8a,8b-octahydro-1,5-dioxa-2-aza-acenaphthylen-3-yl ester
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Formula C14H19NO6
InChI InChI=1S/C14H19NO6/c1-7(16)18-6-11-14(19-8(2)17)13-12-9(20-11)4-3-5-10(12)21-15-13/h9-12,14H,3-6H2,1-2H3/t9-,10+,11+,12-,14-/m0/s1
InChIKey NWTIFCZUVRGBHF-HXNLIRTISA-N
Molecular Weight 297.307 g/mol
SMILES C12=NO[C@]3([C@@]2([C@@](CCC3)([H])O[C@@]([C@@]1(OC(=O)C)[H])(COC(=O)C)[H])[H])[H]
SPLASH splash10-0f72-0590000000-6bb36e5a1140770171c2
Source of Spectrum F-55-4130-17
Wiley ID 837479