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Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-methylbutanoate
SpectraBase Compound ID 6znGYwiVSxV
InChI InChI=1S/C12H16F7NO3/c1-4-5-23-8(21)7(6(2)3)20-9(22)10(13,14)11(15,16)12(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,22)/t7-/m0/s1
InChIKey WSTNRUHXTIIYGL-ZETCQYMHSA-N
Mol Weight 355.25 g/mol
Molecular Formula C12H16F7NO3
Exact Mass 355.101841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Z9r9wfa410
Name Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-methylbutanoate
Alternate Name(s) N-(heptafluorobutyryl)valine propyl ester Propyl (2S)-2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-methylbutanoate
CAS Registry Number 88436-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16F7NO3
InChI InChI=1S/C12H16F7NO3/c1-4-5-23-8(21)7(6(2)3)20-9(22)10(13,14)11(15,16)12(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,22)/t7-/m0/s1
InChIKey WSTNRUHXTIIYGL-ZETCQYMHSA-N
Molecular Weight 355.253 g/mol
SMILES N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)[C@](C(=O)OCCC)(C(C)C)[H]
SPLASH splash10-066u-9070000000-bafe9b5dfd9ccb7fdfc5
Source of Spectrum W5-1989-6802-1
Wiley ID 1345087