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(1S,2S)-N-((2-(4-chlorophenyl)cyclopropyl)methyl)benzamide
SpectraBase Compound ID 3QC5nZ4A7Rx
InChI InChI=1S/C17H16ClNO/c18-15-8-6-12(7-9-15)16-10-14(16)11-19-17(20)13-4-2-1-3-5-13/h1-9,14,16H,10-11H2,(H,19,20)/t14-,16-/m1/s1
InChIKey SFUNZIDMJZOGSK-GDBMZVCRSA-N
Mol Weight 285.77 g/mol
Molecular Formula C17H16ClNO
Exact Mass 285.092042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HnHEelD63R
Name (1S,2S)-N-((2-(4-chlorophenyl)cyclopropyl)methyl)benzamide
Appearance White solid
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Exact Mass 285.092041838 u
Formula C17H16ClNO
InChI InChI=1S/C17H16ClNO/c18-15-8-6-12(7-9-15)16-10-14(16)11-19-17(20)13-4-2-1-3-5-13/h1-9,14,16H,10-11H2,(H,19,20)/t14-,16-/m1/s1
InChIKey SFUNZIDMJZOGSK-GDBMZVCRSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810059
Molecular Weight 285.774 g/mol
Quality 10
SMILES N(C[C@@]1([C@@](C2=CC=C(C=C2)Cl)(C1)[H])[H])C(C1=CC=CC=C1)=O
SPLASH splash10-0a4i-0900000000-3b3b751b5b26d5ba4273
Sample Comments >99% de, >97% ee
Source of Spectrum ACI-57-SM40-9 (DOI: 10.1002/anie.201810059)
Wiley ID 1893643