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Spiro[3',4'-(isopropylidenedioxy)-5'-hydroxypiperidine-1'-1-morpholinium] tosyl salt

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Spiro[3',4'-(isopropylidenedioxy)-5'-hydroxypiperidine-1'-1-morpholinium] tosyl salt
SpectraBase Compound ID 3bQ7CxOX4al
InChI InChI=1S/C12H22NO4.C7H8O3S/c1-12(2)16-10-8-13(3-5-15-6-4-13)7-9(14)11(10)17-12;1-6-2-4-7(5-3-6)11(8,9)10/h9-11,14H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t9-,10+,11-;/m1./s1
InChIKey DTQOEMQVIIJMCP-QJQMQQLTSA-M
Mol Weight 415.5 g/mol
Molecular Formula C19H29NO7S
Exact Mass 415.166473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeN7oa9cVm8
Name Spiro[3',4'-(isopropylidenedioxy)-5'-hydroxypiperidine-1'-1-morpholinium] tosyl salt
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.166473445 u
Formula C19H29NO7S
InChI InChI=1S/C12H22NO4.C7H8O3S/c1-12(2)16-10-8-13(3-5-15-6-4-13)7-9(14)11(10)17-12;1-6-2-4-7(5-3-6)11(8,9)10/h9-11,14H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/t9-,10+,11-;/m1./s1
InChIKey DTQOEMQVIIJMCP-QJQMQQLTSA-M
Molecular Weight 415.501 g/mol
SMILES [C@]12([C@](OC(O2)(C)C)([C@](O)(C[N+]2(C1)CCOCC2)[H])[H])[H].C=1(S([O-])(=O)=O)C=CC(=CC1)C