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Fmoc-phe-opfp

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

Fmoc-phe-opfp
SpectraBase Compound ID LuZccudTJLD
InChI InChI=1S/C30H20F5NO4/c31-23-24(32)26(34)28(27(35)25(23)33)40-29(37)22(14-16-8-2-1-3-9-16)36-30(38)39-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,36,38)/t22-/m0/s1
InChIKey WKHPSOMXNCTXPK-QFIPXVFZSA-N
Mol Weight 553.49 g/mol
Molecular Formula C30H20F5NO4
Exact Mass 553.131249 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LFaVyboVEQC
Name Fmoc-phe-opfp
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 553.131248939 u
Formula C30H20F5NO4
InChI InChI=1S/C30H20F5NO4/c31-23-24(32)26(34)28(27(35)25(23)33)40-29(37)22(14-16-8-2-1-3-9-16)36-30(38)39-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,36,38)/t22-/m0/s1
InChIKey WKHPSOMXNCTXPK-QFIPXVFZSA-N
Molecular Weight 553.485 g/mol
SMILES C1(=C(C(F)=C(C(=C1F)F)F)F)OC([C@@](NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)(CC=1C=CC=CC1)[H])=O
Spectrum/Structure Validation Score (Raman) 0.727611