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4-{[(benzyloxy)carbonyl]amino}cyclohexyl 4-methylbenzenesulfonate

View entire compound with spectra: 2 NMR

4-{[(benzyloxy)carbonyl]amino}cyclohexyl 4-methylbenzenesulfonate
SpectraBase Compound ID CFDHKtLPigX
InChI InChI=1S/C21H25NO5S/c1-16-7-13-20(14-8-16)28(24,25)27-19-11-9-18(10-12-19)22-21(23)26-15-17-5-3-2-4-6-17/h2-8,13-14,18-19H,9-12,15H2,1H3,(H,22,23)
InChIKey CMYNAYOIFBSOQQ-UHFFFAOYSA-N
Mol Weight 403.49 g/mol
Molecular Formula C21H25NO5S
Exact Mass 403.145344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUK8BFRXqwc
Name 4-{[(benzyloxy)carbonyl]amino}cyclohexyl 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 403.145344078 u
Formula C21H25NO5S
InChI InChI=1S/C21H25NO5S/c1-16-7-13-20(14-8-16)28(24,25)27-19-11-9-18(10-12-19)22-21(23)26-15-17-5-3-2-4-6-17/h2-8,13-14,18-19H,9-12,15H2,1H3,(H,22,23)
InChIKey CMYNAYOIFBSOQQ-UHFFFAOYSA-N
Molecular Weight 403.493 g/mol
SMILES N(C(=O)OCC1=CC=CC=C1)C1CCC(OS(C2=CC=C(C=C2)C)(=O)=O)CC1