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Methyl (aRS,1RS,2RS(2SR),6RS(6SR))-5-oxo-a-phthalimido-7-oxabicyclo[4.1.0]heptane-2-propanoate (more polar diastereomer)
SpectraBase Compound ID Gux11dxmqRM
InChI InChI=1S/C18H17NO6/c1-24-18(23)12(8-9-6-7-13(20)15-14(9)25-15)19-16(21)10-4-2-3-5-11(10)17(19)22/h2-5,9,12,14-15H,6-8H2,1H3/t9-,12+,14-,15+/m1/s1
InChIKey NNOBOILMMKWUET-PWFWHMEDSA-N
Mol Weight 343.34 g/mol
Molecular Formula C18H17NO6
Exact Mass 343.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UmtCN5YVVL
Name Methyl (aRS,1RS,2RS(2SR),6RS(6SR))-5-oxo-a-phthalimido-7-oxabicyclo[4.1.0]heptane-2-propanoate (more polar diastereomer)
Alternate Name(s) Methyl (aRS,1RS,2RS(2SR),6RS(6SR))-5-oxo-a-phthalimido-7-oxabicyclo[4.1.0]heptane-2-propanoate (less polar diastereomer)
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Formula C18H17NO6
InChI InChI=1S/C18H17NO6/c1-24-18(23)12(8-9-6-7-13(20)15-14(9)25-15)19-16(21)10-4-2-3-5-11(10)17(19)22/h2-5,9,12,14-15H,6-8H2,1H3/t9-,12+,14-,15+/m1/s1
InChIKey NNOBOILMMKWUET-PWFWHMEDSA-N
Molecular Weight 343.335 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@@](C[C@@]1([C@@]2([C@@](O2)(C(CC1)=O)[H])[H])[H])(C(=O)OC)[H])=O
SPLASH splash10-01q0-3930000000-293f0286092c9a8652d9
Source of Spectrum B-47-1713-0
Wiley ID 1337250