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N-[(1S)-2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-2,2,2-trifluoro-N-methyl-acetamide
SpectraBase Compound ID 7wzbCgIZrE2
InChI InChI=1S/C13H14F3NO3/c1-8(17(2)12(18)13(14,15)16)5-9-3-4-10-11(6-9)20-7-19-10/h3-4,6,8H,5,7H2,1-2H3/t8-/m0/s1
InChIKey KACKAPXORIPDQB-QMMMGPOBSA-N
Mol Weight 289.25 g/mol
Molecular Formula C13H14F3NO3
Exact Mass 289.092578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5b0fqvWBGg
Name N-[(1S)-2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-2,2,2-trifluoro-N-methyl-acetamide
Alternate Name(s) (S)-N-(1-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)-2,2,2-trifluoro-N-methylacetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14F3NO3
InChI InChI=1S/C13H14F3NO3/c1-8(17(2)12(18)13(14,15)16)5-9-3-4-10-11(6-9)20-7-19-10/h3-4,6,8H,5,7H2,1-2H3/t8-/m0/s1
InChIKey KACKAPXORIPDQB-QMMMGPOBSA-N
Literature Reference DOI 10.1002/rcm.2499
Molecular Weight 289.254 g/mol
SMILES c12cc(ccc2OCO1)C[C@](C)(N(C(C(F)(F)F)=O)C)[H]
SPLASH splash10-0w2i-1900000000-c7a0592686a56510f972
Source of Spectrum RCM-20-1727-MDMA_TFAA
Wiley ID 1820306