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5-[(t-Butoxycarbonyl)amino]-6-(4'-fluorophenyl)hex-3-enoic acid
SpectraBase Compound ID ExvgtHeSAPs
InChI InChI=1S/C17H22FNO4/c1-17(2,3)23-16(22)19-14(5-4-6-15(20)21)11-12-7-9-13(18)10-8-12/h4-5,7-10,14H,6,11H2,1-3H3,(H,19,22)(H,20,21)/b5-4+
InChIKey FJGHRMDCHRONPR-SNAWJCMRSA-N
Mol Weight 323.36 g/mol
Molecular Formula C17H22FNO4
Exact Mass 323.153286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcMlMAQ8diX
Name 5-[(t-Butoxycarbonyl)amino]-6-(4'-fluorophenyl)hex-3-enoic acid
Alternate Name(s) (3E)-5-[(tert-butoxycarbonyl)amino]-6-(4-fluorophenyl)-3-hexenoic acid
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Formula C17H22FNO4
InChI InChI=1S/C17H22FNO4/c1-17(2,3)23-16(22)19-14(5-4-6-15(20)21)11-12-7-9-13(18)10-8-12/h4-5,7-10,14H,6,11H2,1-3H3,(H,19,22)(H,20,21)/b5-4+
InChIKey FJGHRMDCHRONPR-SNAWJCMRSA-N
Molecular Weight 323.364 g/mol
SMILES N(C(\C=C\CC(=O)O)Cc1ccc(cc1)F)C(=O)OC(C)(C)C
SPLASH splash10-0002-0960000000-13bb2629f1c3112fb1fb
Source of Spectrum AN-100-394-5
Wiley ID 747219