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3-{N-[(Benzyloxycarbonyl)methyl]-N-tosylamino}-1-phenylpentan-1-one
SpectraBase Compound ID AaWhM9fCuQN
InChI InChI=1S/C27H29NO5S/c1-3-24(18-26(29)23-12-8-5-9-13-23)28(34(31,32)25-16-14-21(2)15-17-25)19-27(30)33-20-22-10-6-4-7-11-22/h4-17,24H,3,18-20H2,1-2H3
InChIKey XJPYYKGHSJPKQN-UHFFFAOYSA-N
Mol Weight 479.59 g/mol
Molecular Formula C27H29NO5S
Exact Mass 479.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ETwFajvfn5
Name 3-{N-[(Benzyloxycarbonyl)methyl]-N-tosylamino}-1-phenylpentan-1-one
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Formula C27H29NO5S
InChI InChI=1S/C27H29NO5S/c1-3-24(18-26(29)23-12-8-5-9-13-23)28(34(31,32)25-16-14-21(2)15-17-25)19-27(30)33-20-22-10-6-4-7-11-22/h4-17,24H,3,18-20H2,1-2H3
InChIKey XJPYYKGHSJPKQN-UHFFFAOYSA-N
Molecular Weight 479.591 g/mol
SMILES C(N(S(c1ccc(cc1)C)(=O)=O)C(CC(=O)c1ccccc1)CC)C(=O)OCc1ccccc1
SPLASH splash10-052f-9800000000-398a49e75a485dbfa1c1
Source of Spectrum H-79-1859-5
Synonyms benzyl {(1-ethyl-3-oxo-3-phenylpropyl)[(4-methylphenyl)sulfonyl]amino}acetate
Wiley ID 1395022