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Pentolinium tartrate in kbr

View entire compound with spectra: 1 NMR

Pentolinium tartrate in kbr
SpectraBase Compound ID HISYO8pLAvh
InChI InChI=1S/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2
InChIKey HSMKTIKKPMTUQH-UHFFFAOYSA-L
Mol Weight 538.59 g/mol
Molecular Formula C23H42N2O12
Exact Mass 538.273775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1MGVnwp09w
Name Pentolinium tartrate in kbr
Comments Computed using HOSE algorithm
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Exact Mass 538.273774788 u
Formula C23H42N2O12
InChI InChI=1S/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2
InChIKey HSMKTIKKPMTUQH-UHFFFAOYSA-L
Molecular Weight 538.591 g/mol
SMILES C([N+]1(C)CCCC1)CCCC[N+]1(C)CCCC1.OC(C(C(C(=O)[O-])O)O)=O.OC(C(C(C(=O)[O-])O)O)=O