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(S)-Methyl 4-(tert-butoxycarbonylamino)-5-phenyl-2-pentynoate
SpectraBase Compound ID 5uTFiE4CeL1
InChI InChI=1S/C17H21NO4/c1-17(2,3)22-16(20)18-14(10-11-15(19)21-4)12-13-8-6-5-7-9-13/h5-9,14H,12H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKey KKTKLHQJHUTWKF-CQSZACIVSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aPd51dRnsA
Name (S)-Methyl 4-(tert-butoxycarbonylamino)-5-phenyl-2-pentynoate
Alternate Name(s) Methyl (4S)-4-[(tert-butoxycarbonyl)amino]-5-phenyl-2-pentynoate (4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenyl-2-pentynoic acid methyl ester Methyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-ynoate Methyl (4S)-4-(tert-butoxycarbonylamino)-5-phenyl-pent-2-ynoate Methyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pent-2-ynoate
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Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-17(2,3)22-16(20)18-14(10-11-15(19)21-4)12-13-8-6-5-7-9-13/h5-9,14H,12H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKey KKTKLHQJHUTWKF-CQSZACIVSA-N
Molecular Weight 303.358 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C#CC(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-052f-9420000000-c4da8eee026b3fdb3039
Source of Spectrum F-54-10223-1
Wiley ID 808571