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N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester

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N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester
SpectraBase Compound ID Hbuu2yobhAb
InChI InChI=1S/C21H28N2O3S/c1-21(2,3)14-8-10-15(11-9-14)26-19(25)13-12-18(24)23-20-22-16-6-4-5-7-17(16)27-20/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24)
InChIKey AXRGCFGEBBFZFY-UHFFFAOYSA-N
Mol Weight 388.53 g/mol
Molecular Formula C21H28N2O3S
Exact Mass 388.182064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXgSqRZ4zoz
Name N-Benzothiazol-2-yl-succinamic acid 4-tert-butyl-cyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.182063941 u
Formula C21H28N2O3S
InChI InChI=1S/C21H28N2O3S/c1-21(2,3)14-8-10-15(11-9-14)26-19(25)13-12-18(24)23-20-22-16-6-4-5-7-17(16)27-20/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24)
InChIKey AXRGCFGEBBFZFY-UHFFFAOYSA-N
Molecular Weight 388.526 g/mol
SMILES C1(=NC=2C=CC=CC2S1)NC(=O)CCC(OC1CCC(C(C)(C)C)CC1)=O