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Hexyl 4-(benzyloxycarbonylamino)benzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Hexyl 4-(benzyloxycarbonylamino)benzoate
SpectraBase Compound ID 5VKwXuHurA5
InChI InChI=1S/C21H25NO4/c1-2-3-4-8-15-25-20(23)18-11-13-19(14-12-18)22-21(24)26-16-17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,22,24)
InChIKey SFHYBIZACRRKFL-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSy9ePw3lVz
Name Hexyl 4-(benzyloxycarbonylamino)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 355.178358285 u
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-2-3-4-8-15-25-20(23)18-11-13-19(14-12-18)22-21(24)26-16-17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,22,24)
InChIKey SFHYBIZACRRKFL-UHFFFAOYSA-N
Molecular Weight 355.434 g/mol
SMILES C(C=1C=CC(=CC1)NC(=O)OCC=1C=CC=CC1)(=O)OCCCCCC