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2-[(1S,3R)-3-isopropylcyclohexyl]pyrimidine
SpectraBase Compound ID 3b6H07vsae0
InChI InChI=1S/C13H20N2/c1-10(2)11-5-3-6-12(9-11)13-14-7-4-8-15-13/h4,7-8,10-12H,3,5-6,9H2,1-2H3/t11-,12+/m1/s1
InChIKey LGJSYPORZZODOF-NEPJUHHUSA-N
Mol Weight 204.32 g/mol
Molecular Formula C13H20N2
Exact Mass 204.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JirDPcn5ynd
Name 2-[(1S,3R)-3-isopropylcyclohexyl]pyrimidine
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20N2
InChI InChI=1S/C13H20N2/c1-10(2)11-5-3-6-12(9-11)13-14-7-4-8-15-13/h4,7-8,10-12H,3,5-6,9H2,1-2H3/t11-,12+/m1/s1
InChIKey LGJSYPORZZODOF-NEPJUHHUSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201914490
Molecular Weight 204.317 g/mol
Reported Formula C13H20N2
SMILES c1cnc(nc1)[C@@]1(C[C@@](CCC1)(C(C)C)[H])[H]
SPLASH splash10-03di-0910000000-a81a4e38a3d4291d4421
Sample Comments dr = 94:6
Source of Spectrum ACI-59-SM28-3ac
Wiley ID 1857640