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object
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_id
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DcFzPw9NdAK
spectrumID
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DcFzPw9NdAK
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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BETA-PENTAFLUOROPHENYL-(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPAR
SpectraBase Compound ID 9wRkDySIYlw
InChI InChI=1S/C37H44F5N5O12/c1-37(2,3)59-36(55)46-21(16-19-10-8-7-9-11-19)33(52)43-15-14-23(48)44-20(34(53)56-5)12-13-25(50)47(4)18-24(49)45-22(35(54)57-6)17-26(51)58-32-30(41)28(39)27(38)29(40)31(32)42/h7-11,20-22H,12-18H2,1-6H3,(H,43,52)(H,44,48)(H,45,49)(H,46,55)/t20-,21-,22+/m0/s1
InChIKey KFHKKKKPZLCTCP-FDFHNCONSA-N
Mol Weight 845.8 g/mol
Molecular Formula C37H44F5N5O12
Exact Mass 845.290663 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DcFzPw9NdAK
Name BETA-PENTAFLUOROPHENYL-(2S)-N-(TERT.-BUTOXYCARBONYL)-PHENYLALANYL-BETA-ALANYL-[ALPHA-METHYL-(2R)-GLUTAMYL]-GAMMA-SARCOSYL-[ALPHA-METHYL-(2R)-ASPAR
Compound Number 44
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H44F5N5O12
InChI InChI=1S/C37H44F5N5O12/c1-37(2,3)59-36(55)46-21(16-19-10-8-7-9-11-19)33(52)43-15-14-23(48)44-20(34(53)56-5)12-13-25(50)47(4)18-24(49)45-22(35(54)57-6)17-26(51)58-32-30(41)28(39)27(38)29(40)31(32)42/h7-11,20-22H,12-18H2,1-6H3,(H,43,52)(H,44,48)(H,45,49)(H,46,55)/t20-,21-,22+/m0/s1
InChIKey KFHKKKKPZLCTCP-FDFHNCONSA-N
Literature Reference Author A.P.MEHROTRA,K.L.WEBSTER,D.GANI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2495(1997)
Literature Reference DOI 10.1039/a702407j
Molecular Weight 845.775 g/mol
Solvent CDCl3
Source File Reference UWCP9237
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