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o-Chlorococaine

View entire compound with spectra: 1 NMR

o-Chlorococaine
SpectraBase Compound ID B31VP0RXHZA
InChI InChI=1S/C17H20ClNO4/c1-19-10-7-8-13(19)15(17(21)22-2)14(9-10)23-16(20)11-5-3-4-6-12(11)18/h3-6,10,13-15H,7-9H2,1-2H3/t10-,13+,14-,15?/m0/s1
InChIKey UESLDBAZOYAPGB-KGZXPJFCSA-N
Mol Weight 337.8 g/mol
Molecular Formula C17H20ClNO4
Exact Mass 337.108086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dtd2EZuIR2e
Name o-Chlorococaine
Comments Computed using HOSE algorithm
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Exact Mass 337.108085824 u
Formula C17H20ClNO4
InChI InChI=1S/C17H20ClNO4/c1-19-10-7-8-13(19)15(17(21)22-2)14(9-10)23-16(20)11-5-3-4-6-12(11)18/h3-6,10,13-15H,7-9H2,1-2H3/t10-,13+,14-,15?/m0/s1
InChIKey UESLDBAZOYAPGB-KGZXPJFCSA-N
Molecular Weight 337.803 g/mol
SMILES C1(=CC=CC=C1Cl)C(O[C@@]1(C([C@@]2(N([C@](C1)(CC2)[H])C)[H])C(=O)OC)[H])=O