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L-Alanine, N-(3-bromobenzoyl)-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(3-bromobenzoyl)-, hexadecyl ester
SpectraBase Compound ID HPOl0svgAHt
InChI InChI=1S/C26H42BrNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-26(30)22(2)28-25(29)23-18-17-19-24(27)21-23/h17-19,21-22H,3-16,20H2,1-2H3,(H,28,29)
InChIKey CEVDBYBFLPUPIJ-UHFFFAOYSA-N
Mol Weight 496.5 g/mol
Molecular Formula C26H42BrNO3
Exact Mass 495.234807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2L89rYm25Rr
Name L-Alanine, N-(3-bromobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 495.234807213 u
Formula C26H42BrNO3
InChI InChI=1S/C26H42BrNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-26(30)22(2)28-25(29)23-18-17-19-24(27)21-23/h17-19,21-22H,3-16,20H2,1-2H3,(H,28,29)
InChIKey CEVDBYBFLPUPIJ-UHFFFAOYSA-N
Molecular Weight 496.530 g/mol
SMILES C1=C(C=CC=C1C(NC(C(OCCCCCCCCCCCCCCCC)=O)C)=O)Br