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(1R,3S)-3-(tert-butoxycarbonylamino)-1-phenyl-butane-1-sulfonic acid isopropyl ester
SpectraBase Compound ID B2nAjP9XWJp
InChI InChI=1S/C18H29NO5S/c1-13(2)24-25(21,22)16(15-10-8-7-9-11-15)12-14(3)19-17(20)23-18(4,5)6/h7-11,13-14,16H,12H2,1-6H3,(H,19,20)/t14-,16+/m0/s1
InChIKey UFAVVUMUAOALAV-GOEBONIOSA-N
Mol Weight 371.49 g/mol
Molecular Formula C18H29NO5S
Exact Mass 371.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfLtGLMXbO3
Name (1R,3S)-3-(tert-butoxycarbonylamino)-1-phenyl-butane-1-sulfonic acid isopropyl ester
Alternate Name(s) (1R,3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-phenyl-1-butanesulfonic acid isopropyl (1R,3S)-3-(tert-butoxycarbonylamino)-1-phenyl-butane-1-sulfonate Propan-2-yl (1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-butane-1-sulfonate
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Formula C18H29NO5S
InChI InChI=1S/C18H29NO5S/c1-13(2)24-25(21,22)16(15-10-8-7-9-11-15)12-14(3)19-17(20)23-18(4,5)6/h7-11,13-14,16H,12H2,1-6H3,(H,19,20)/t14-,16+/m0/s1
InChIKey UFAVVUMUAOALAV-GOEBONIOSA-N
Molecular Weight 371.492 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C[C@@](S(OC(C)C)(=O)=O)(c1ccccc1)[H])(C)[H]
SPLASH splash10-052u-9600000000-a7121dceebcaba951e01
Source of Spectrum C5-2004-2915-5
Wiley ID 1617591