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Isopropyl (1R,3S)-3-tert-butoxycarbonylamino-1-(4-butylphenyl)butanesulfonate
SpectraBase Compound ID GWD7huVq63Z
InChI InChI=1S/C22H37NO5S/c1-8-9-10-18-11-13-19(14-12-18)20(29(25,26)28-16(2)3)15-17(4)23-21(24)27-22(5,6)7/h11-14,16-17,20H,8-10,15H2,1-7H3,(H,23,24)/t17-,20+/m0/s1
InChIKey NXTSYWZAVRWFLB-FXAWDEMLSA-N
Mol Weight 427.6 g/mol
Molecular Formula C22H37NO5S
Exact Mass 427.239244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXM9bzrvWJI
Name Isopropyl (1R,3S)-3-tert-butoxycarbonylamino-1-(4-butylphenyl)butanesulfonate
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Formula C22H37NO5S
InChI InChI=1S/C22H37NO5S/c1-8-9-10-18-11-13-19(14-12-18)20(29(25,26)28-16(2)3)15-17(4)23-21(24)27-22(5,6)7/h11-14,16-17,20H,8-10,15H2,1-7H3,(H,23,24)/t17-,20+/m0/s1
InChIKey NXTSYWZAVRWFLB-FXAWDEMLSA-N
Molecular Weight 427.600 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C[C@@](S(OC(C)C)(=O)=O)(c1ccc(cc1)CCCC)[H])(C)[H]
SPLASH splash10-000j-9251000000-5b7c73a1ed9700ccf1d0
Source of Spectrum C5-2004-2916-5
Synonyms isopropyl (1R,3S)-3-[(tert-butoxycarbonyl)amino]-1-(4-butylphenyl)-1-butanesulfonate
Wiley ID 1617590