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Butyl 4-methyl-2-{[(4-methylphenyl)sulfonyl]amino}pentanoate

View entire compound with spectra: 2 NMR

Butyl 4-methyl-2-{[(4-methylphenyl)sulfonyl]amino}pentanoate
SpectraBase Compound ID 60sABimZ3lT
InChI InChI=1S/C17H27NO4S/c1-5-6-11-22-17(19)16(12-13(2)3)18-23(20,21)15-9-7-14(4)8-10-15/h7-10,13,16,18H,5-6,11-12H2,1-4H3
InChIKey LTGFUQARQQIAKR-UHFFFAOYSA-N
Mol Weight 341.47 g/mol
Molecular Formula C17H27NO4S
Exact Mass 341.16608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Olk4mS3r2s
Name Butyl 4-methyl-2-{[(4-methylphenyl)sulfonyl]amino}pentanoate
Comments Computed using HOSE algorithm
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Exact Mass 341.166079523 u
Formula C17H27NO4S
InChI InChI=1S/C17H27NO4S/c1-5-6-11-22-17(19)16(12-13(2)3)18-23(20,21)15-9-7-14(4)8-10-15/h7-10,13,16,18H,5-6,11-12H2,1-4H3
InChIKey LTGFUQARQQIAKR-UHFFFAOYSA-N
Molecular Weight 341.466 g/mol
SMILES N(S(C1=CC=C(C=C1)C)(=O)=O)C(C(=O)OCCCC)CC(C)C