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2-Pentynoic acid, 4-[(t-butoxycarbonyl)amino]-(5S)-phenyl-, methyl ester
SpectraBase Compound ID C463CREyquw
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)
InChIKey KKTKLHQJHUTWKF-UHFFFAOYSA-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 9YQn3Pvas0S
Name 2-PENTENOIC ACID, 4-[(tert-BUTYLOXYCARBONYL)AMINO]-(5S)-PHENYL-, METHYL ESTER
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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)
InChIKey KKTKLHQJHUTWKF-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 303.1465
SMILES N(C(C#CC(OC)=O)Cc1ccccc1)C(=O)OC(C)(C)C
SPLASH splash10-0a4i-9310000000-f6e4fa1dfbad78b8f483
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany