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(3S,4S)-3,4-Bis(benzyloxy)hexa-1,5-diyne

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

(3S,4S)-3,4-Bis(benzyloxy)hexa-1,5-diyne
SpectraBase Compound ID 8RFUF7hGFBP
InChI InChI=1S/C20H18O2/c1-3-19(21-15-17-11-7-5-8-12-17)20(4-2)22-16-18-13-9-6-10-14-18/h1-2,5-14,19-20H,15-16H2/t19-,20-/m0/s1
InChIKey GXSMATFEVZFHBW-PMACEKPBSA-N
Mol Weight 290.36 g/mol
Molecular Formula C20H18O2
Exact Mass 290.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pTPKRZW3OZ
Name (3S,4S)-3,4-bis(Benzyloxy)hexa-1,5-diyne
Comments Computed using HOSE algorithm
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Exact Mass 290.130679818 u
Formula C20H18O2
InChI InChI=1S/C20H18O2/c1-3-19(21-15-17-11-7-5-8-12-17)20(4-2)22-16-18-13-9-6-10-14-18/h1-2,5-14,19-20H,15-16H2/t19-,20-/m0/s1
InChIKey GXSMATFEVZFHBW-PMACEKPBSA-N
Molecular Weight 290.362 g/mol
SMILES C(#C)[C@@]([C@](C#C)(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H]