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Benzyl 2-(S)-((tert-Butoxycarbonyl)amino)-5-(2'-methoxyphenyl)pentanoate
SpectraBase Compound ID 1j4Ba3hHUrR
InChI InChI=1S/C24H31NO5/c1-24(2,3)30-23(27)25-20(22(26)29-17-18-11-6-5-7-12-18)15-10-14-19-13-8-9-16-21(19)28-4/h5-9,11-13,16,20H,10,14-15,17H2,1-4H3,(H,25,27)/t20-/m0/s1
InChIKey RSDGBLNAXOONHP-FQEVSTJZSA-N
Mol Weight 413.51 g/mol
Molecular Formula C24H31NO5
Exact Mass 413.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eo6eMZQaiwb
Name Benzyl 2-(S)-((tert-Butoxycarbonyl)amino)-5-(2'-methoxyphenyl)pentanoate
Alternate Name(s) benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-(2-methoxyphenyl)pentanoate (2S)-5-(2-methoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid (phenylmethyl) ester benzyl (2S)-5-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate benzyl (2S)-2-(tert-butoxycarbonylamino)-5-(2-methoxyphenyl)pentanoate (phenylmethyl) (2S)-5-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Comments Less than 3 mono-isotopic peaks
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Formula C24H31NO5
InChI InChI=1S/C24H31NO5/c1-24(2,3)30-23(27)25-20(22(26)29-17-18-11-6-5-7-12-18)15-10-14-19-13-8-9-16-21(19)28-4/h5-9,11-13,16,20H,10,14-15,17H2,1-4H3,(H,25,27)/t20-/m0/s1
InChIKey RSDGBLNAXOONHP-FQEVSTJZSA-N
Molecular Weight 413.514 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CCCc1c(OC)cccc1)[H]
SPLASH splash10-0a4i-0009000000-1478a466983a63d8f4d5
Source of Spectrum J-63-7883-8
Wiley ID 1375051