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4-(3-(Trifluoromethyl)pyridin-2-yl)piperazine-1-carbaldehyde
SpectraBase Compound ID JhbklmdnhnL
InChI InChI=1S/C11H12F3N3O/c12-11(13,14)9-2-1-3-15-10(9)17-6-4-16(8-18)5-7-17/h1-3,8H,4-7H2
InChIKey HEKFEXJRWWSFTQ-UHFFFAOYSA-N
Mol Weight 259.23 g/mol
Molecular Formula C11H12F3N3O
Exact Mass 259.093247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FF64EKDItcE
Name 4-(3-(Trifluoromethyl)pyridin-2-yl)piperazine-1-carbaldehyde
Appearance Redish solid
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Exact Mass 259.093246506 u
Formula C11H12F3N3O
InChI InChI=1S/C11H12F3N3O/c12-11(13,14)9-2-1-3-15-10(9)17-6-4-16(8-18)5-7-17/h1-3,8H,4-7H2
InChIKey HEKFEXJRWWSFTQ-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202205440
Molecular Weight 259.232 g/mol
Quality 99
Reported Formula C12H23NO
SMILES C=1(C(=CC=CN1)C(F)(F)F)N1CCN(CC1)C=O
SPLASH splash10-002r-0900000000-d5da938dde9c082f43da
Source of Spectrum ACI-61-SM14-4f (DOI: 10.1002/anie.202205440)
Wiley ID 1897870