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rti-111 A (-cl) I

View entire compound with spectra: 1 NMR

rti-111 A (-cl) I
SpectraBase Compound ID IyVWglMRkad
InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15?/m0/s1
InChIKey ZEOHVQFWFVMPGM-DWHDPIQZSA-N
Mol Weight 293.79 g/mol
Molecular Formula C16H20ClNO2
Exact Mass 293.118257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9dgzlohvbrK
Name rti-111 A (-cl) I
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.118256586 u
Formula C16H20ClNO2
InChI InChI=1S/C16H20ClNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15?/m0/s1
InChIKey ZEOHVQFWFVMPGM-DWHDPIQZSA-N
Molecular Weight 293.794 g/mol
SMILES [C@@]1([C@@]([C@@]2(N([C@](C1)(CC2)[H])C)[H])(C(OC)=O)[H])(C=1C=CC(=CC1)Cl)[H]