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2-(3-cyclohexylpropanoylamino)-3,3,3-trifluoro-2-(tetrahydrofurfurylamino)propionic acid methyl ester
SpectraBase Compound ID CdvZDLgOWmY
InChI InChI=1S/C18H29F3N2O4/c1-26-16(25)17(18(19,20)21,22-12-14-8-5-11-27-14)23-15(24)10-9-13-6-3-2-4-7-13/h13-14,22H,2-12H2,1H3,(H,23,24)
InChIKey VZURSNFNPHEJLE-UHFFFAOYSA-N
Mol Weight 394.44 g/mol
Molecular Formula C18H29F3N2O4
Exact Mass 394.207942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPrwwVOmGWS
Name 2-(3-cyclohexylpropanoylamino)-3,3,3-trifluoro-2-(tetrahydrofurfurylamino)propionic acid methyl ester
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Formula C18H29F3N2O4
InChI InChI=1S/C18H29F3N2O4/c1-26-16(25)17(18(19,20)21,22-12-14-8-5-11-27-14)23-15(24)10-9-13-6-3-2-4-7-13/h13-14,22H,2-12H2,1H3,(H,23,24)
InChIKey VZURSNFNPHEJLE-UHFFFAOYSA-N
Molecular Weight 394.435 g/mol
SMILES N(CC1CCCO1)C(NC(CCC1CCCCC1)=O)(C(F)(F)F)C(OC)=O
SPLASH splash10-0596-9300000000-7813888c903bfedd58b2
Synonyms 2-[(3-cyclohexyl-1-oxopropyl)amino]-3,3,3-trifluoro-2-(2-oxolanylmethylamino)propanoic acid methyl ester Methyl 2-(3-cyclohexylpropanoylamino)-3,3,3-trifluoro-2-(oxolan-2-ylmethylamino)propanoate Methyl 2-(3-cyclohexylpropanoylamino)-3,3,3-trifluoro-2-(tetrahydrofuran-2-ylmethylamino)propanoate Methyl 2-(3-cyclohexylpropanoylamino)-3,3,3-tris(fluoranyl)-2-(oxolan-2-ylmethylamino)propanoate
Wiley ID 1511135