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N-Tfa-L-prolylcysteine butyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-Tfa-L-prolylcysteine butyl ester
SpectraBase Compound ID 3B8dt07vqvt
InChI InChI=1S/C14H21F3N2O4S/c1-2-3-7-23-12(21)9(8-24)18-11(20)10-5-4-6-19(10)13(22)14(15,16)17/h9-10,24H,2-8H2,1H3,(H,18,20)/t9-,10-/m0/s1
InChIKey IUKYNTNKFIQDBL-UWVGGRQHSA-N
Mol Weight 370.39 g/mol
Molecular Formula C14H21F3N2O4S
Exact Mass 370.117413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8pgIoAA19j
Name N-tfa-L-Prolylcysteine butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.117412823 u
Formula C14H21F3N2O4S
InChI InChI=1S/C14H21F3N2O4S/c1-2-3-7-23-12(21)9(8-24)18-11(20)10-5-4-6-19(10)13(22)14(15,16)17/h9-10,24H,2-8H2,1H3,(H,18,20)/t9-,10-/m0/s1
InChIKey IUKYNTNKFIQDBL-UWVGGRQHSA-N
Molecular Weight 370.387 g/mol
SMILES C(N1[C@](C(N[C@](C(=O)OCCCC)(CS)[H])=O)(CCC1)[H])(C(F)(F)F)=O