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N-Heptafluorobutyryl, n-butyl ester divative of s-methyl cystine
SpectraBase Compound ID 42Jkx3XGuuz
InChI InChI=1S/C12H16F7NO3S/c1-3-4-5-23-8(21)7(6-24-2)20-9(22)10(13,14)11(15,16)12(17,18)19/h7H,3-6H2,1-2H3,(H,20,22)/t7-/m0/s1
InChIKey XFDCFFLIIZIVNA-ZETCQYMHSA-N
Mol Weight 387.31 g/mol
Molecular Formula C12H16F7NO3S
Exact Mass 387.073912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4M8qg2gqH9
Name N-Heptafluorobutyryl, n-butyl ester divative of s-methyl cystine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16F7NO3S
InChI InChI=1S/C12H16F7NO3S/c1-3-4-5-23-8(21)7(6-24-2)20-9(22)10(13,14)11(15,16)12(17,18)19/h7H,3-6H2,1-2H3,(H,20,22)/t7-/m0/s1
InChIKey XFDCFFLIIZIVNA-ZETCQYMHSA-N
Molecular Weight 387.313 g/mol
SMILES N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)[C@](C(=O)OCCCC)(CSC)[H]
SPLASH splash10-044i-9700000000-53bfcf5b8283f5a0fa77
Source of Spectrum KO-7-43-1
Synonyms Butyl (2R)-2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-(methylsulfanyl)propanoate
Wiley ID 1363269