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Ethyl erythro-(5S, 6R)-5-ethoxycarbonyloxy-6,7-isopropylidene-6,7-dihydrohept-2-ynoate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Ethyl erythro-(5S, 6R)-5-ethoxycarbonyloxy-6,7-isopropylidene-6,7-dihydrohept-2-ynoate
SpectraBase Compound ID IkpVHVB9XTn
InChI InChI=1S/C15H22O7/c1-5-18-13(16)9-7-8-11(21-14(17)19-6-2)12-10-20-15(3,4)22-12/h11-12H,5-6,8,10H2,1-4H3/t11-,12+/m0/s1
InChIKey ZFOKYZXICBGPIY-NWDGAFQWSA-N
Mol Weight 314.33 g/mol
Molecular Formula C15H22O7
Exact Mass 314.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4rqSDTHDtv
Name Ethyl erythro-(5S, 6R)-5-ethoxycarbonyloxy-6,7-isopropylidene-6,7-dihydrohept-2-ynoate
Comments Computed using HOSE algorithm
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Exact Mass 314.136553041 u
Formula C15H22O7
InChI InChI=1S/C15H22O7/c1-5-18-13(16)9-7-8-11(21-14(17)19-6-2)12-10-20-15(3,4)22-12/h11-12H,5-6,8,10H2,1-4H3/t11-,12+/m0/s1
InChIKey ZFOKYZXICBGPIY-NWDGAFQWSA-N
Molecular Weight 314.334 g/mol
SMILES C1(O[C@](CO1)([C@@](OC(=O)OCC)(CC#CC(=O)OCC)[H])[H])(C)C