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(2S)-2-(tert-butoxycarbonylamino)-5-phenyl-pent-4-ynoic acid benzyl ester
SpectraBase Compound ID 677ggWMJiHD
InChI InChI=1S/C23H25NO4/c1-23(2,3)28-22(26)24-20(16-10-15-18-11-6-4-7-12-18)21(25)27-17-19-13-8-5-9-14-19/h4-9,11-14,20H,16-17H2,1-3H3,(H,24,26)/t20-/m0/s1
InChIKey FBLXTQQUXXXTNJ-FQEVSTJZSA-N
Mol Weight 379.46 g/mol
Molecular Formula C23H25NO4
Exact Mass 379.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQLA8HZM6mz
Name (2S)-2-(tert-butoxycarbonylamino)-5-phenyl-pent-4-ynoic acid benzyl ester
Alternate Name(s) (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenyl-4-pentynoic acid (phenylmethyl) ester (phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pent-4-ynoate benzyl (2S)-2-(tert-butoxycarbonylamino)-5-phenyl-pent-4-ynoate benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-ynoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H25NO4
InChI InChI=1S/C23H25NO4/c1-23(2,3)28-22(26)24-20(16-10-15-18-11-6-4-7-12-18)21(25)27-17-19-13-8-5-9-14-19/h4-9,11-14,20H,16-17H2,1-3H3,(H,24,26)/t20-/m0/s1
InChIKey FBLXTQQUXXXTNJ-FQEVSTJZSA-N
Molecular Weight 379.456 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(CC#Cc1ccccc1)[H]
SPLASH splash10-0006-0900000000-47c2a32f00e5bf6bf9f8
Source of Spectrum J-60-2214-17
Wiley ID 1359362