Debug Info

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_id
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KGRVkcacMmv
spectrumID
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KGRVkcacMmv
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131072
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Mass Spectrum (GC)
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(S)-2-((R)-2-Amino-3,3,3-trifluoro-2-methyl-propionylamino)-3-methyl-butyric acid tert-butyl ester
SpectraBase Compound ID z319YVV7JY
InChI InChI=1S/C13H23F3N2O3/c1-7(2)8(9(19)21-11(3,4)5)18-10(20)12(6,17)13(14,15)16/h7-8H,17H2,1-6H3,(H,18,20)/t8-,12+/m0/s1
InChIKey ZCJDLQWLLHSAPK-QPUJVOFHSA-N
Mol Weight 312.33 g/mol
Molecular Formula C13H23F3N2O3
Exact Mass 312.166077 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGRVkcacMmv
Name (S)-2-((R)-2-Amino-3,3,3-trifluoro-2-methyl-propionylamino)-3-methyl-butyric acid tert-butyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23F3N2O3
InChI InChI=1S/C13H23F3N2O3/c1-7(2)8(9(19)21-11(3,4)5)18-10(20)12(6,17)13(14,15)16/h7-8H,17H2,1-6H3,(H,18,20)/t8-,12+/m0/s1
InChIKey ZCJDLQWLLHSAPK-QPUJVOFHSA-N
Molecular Weight 312.333 g/mol
SMILES N(C([C@](C(F)(F)F)(N)C)=O)[C@](C(OC(C)(C)C)=O)(C(C)C)[H]
SPLASH splash10-03di-0293000000-503578f094c9e1bcb251
Source of Spectrum U1-2009-5722-(R,S)-11
Synonyms N-[1'-(t-Butoxycarbonyl)-2'-methylpropyl]-2-(trifluoromethyl)-2-aminopropan-1-amide [R]-.alpha.-Trifluoromethyl-Alanine-L-Valine-O-t-Butyl (2S)-2-[[(2R)-2-amino-3,3,3-trifluoro-2-methyl-1-oxopropyl]amino]-3-methylbutanoic acid tert-butyl ester tert-Butyl (2S)-2-[[(2R)-2-amino-3,3,3-trifluoro-2-methylpropanoyl]amino]-3-methylbutanoate tert-Butyl (2S)-2-[[(2R)-2-amino-3,3,3-trifluoro-2-methyl-propanoyl]amino]-3-methyl-butanoate tert-Butyl (2S)-2-[[(2R)-2-azanyl-3,3,3-tris(fluoranyl)-2-methyl-propanoyl]amino]-3-methyl-butanoate
Wiley ID 1697368
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