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N-(tert-Butoxycarbonyl)-3-[4-(2,6-dichlorobenzyloxy)phenyl]alanine
SpectraBase Compound ID 6XLuk1jXsLi
InChI InChI=1S/C21H23Cl2NO5/c1-21(2,3)29-20(27)24-18(19(25)26)11-13-7-9-14(10-8-13)28-12-15-16(22)5-4-6-17(15)23/h4-10,18H,11-12H2,1-3H3,(H,24,27)(H,25,26)
InChIKey DODHIGHXRDNRPP-UHFFFAOYSA-N
Mol Weight 440.32 g/mol
Molecular Formula C21H23Cl2NO5
Exact Mass 439.095328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxTYcLpR2yP
Name N-(tert-BUTOXYCARBONYL)-3-[4-(2,6-DICHLOROBENZYLOXY)PHENYL]ALANINE
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Formula C21H23Cl2NO5
InChI InChI=1S/C21H23Cl2NO5/c1-21(2,3)29-20(27)24-18(19(25)26)11-13-7-9-14(10-8-13)28-12-15-16(22)5-4-6-17(15)23/h4-10,18H,11-12H2,1-3H3,(H,24,27)(H,25,26)
InChIKey DODHIGHXRDNRPP-UHFFFAOYSA-N
Molecular Weight 439.0948
SMILES N(C(OC(C)(C)C)=O)C(C(O)=O)Cc1ccc(cc1)OCc1c(Cl)cccc1Cl
SPLASH splash10-0a4l-9520000000-c8e85a4a1eb6e2ad3317
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany