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3-(Tert-butoxycarbonyl)-5',6'-epoxyspiro[4,5-dihydroisoxazole-5,1'-cyclohex-2'-en-4'-one]
SpectraBase Compound ID 6SsD1BfRJc3
InChI InChI=1S/C13H15NO5/c1-12(2,3)18-11(16)7-6-13(19-14-7)5-4-8(15)9-10(13)17-9/h4-5,9-10H,6H2,1-3H3/t9-,10-,13+/m0/s1
InChIKey CQRNOVWZYYHCNT-OUJBWJOFSA-N
Mol Weight 265.26 g/mol
Molecular Formula C13H15NO5
Exact Mass 265.095023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GkPZjkyfEPt
Name 3-(Tert-butoxycarbonyl)-5',6'-epoxyspiro[4,5-dihydroisoxazole-5,1'-cyclohex-2'-en-4'-one]
Comments Computed using HOSE algorithm
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Exact Mass 265.095022582 u
Formula C13H15NO5
InChI InChI=1S/C13H15NO5/c1-12(2,3)18-11(16)7-6-13(19-14-7)5-4-8(15)9-10(13)17-9/h4-5,9-10H,6H2,1-3H3/t9-,10-,13+/m0/s1
InChIKey CQRNOVWZYYHCNT-OUJBWJOFSA-N
Molecular Weight 265.265 g/mol
SMILES [C@]12([C@](C(=O)C=C[C@]22ON=C(C2)C(OC(C)(C)C)=O)(O1)[H])[H]