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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KX7ellxE7Wd
Name N-Tfa-L-prolylcysteine butyl ester
Alternate Name(s) Butyl (2R)-3-sulfanyl-2-({[(2S)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}amino)propanoate
CAS Registry Number 63085-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N(C([C@]1(N(C(C(F)(F)F)=O)CCC1)[H])=O)[C@@](CS)(C(=O)OCCCC)[H]
SPLASH splash10-014i-5900000000-fbc2f15605aab1960398
Source of Spectrum W5-1989-9630-1
Wiley ID 1353967