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2(1H)-Pyrimidinone, 4-(chloromethyl)tetrahydro-3-methyl-1-(phenylmethyl)-, (.+-.)-
SpectraBase Compound ID FjWBE2t8b2p
InChI InChI=1S/C13H17ClN2O/c1-15-12(9-14)7-8-16(13(15)17)10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKey HXVPNXNKAXNEKL-UHFFFAOYSA-N
Mol Weight 252.74 g/mol
Molecular Formula C13H17ClN2O
Exact Mass 252.102941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRyfNH2ZFD8
Name 2(1H)-Pyrimidinone, 4-(chloromethyl)tetrahydro-3-methyl-1-(phenylmethyl)-, (.+-.)-
CAS Registry Number 114445-24-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17ClN2O
InChI InChI=1S/C13H17ClN2O/c1-15-12(9-14)7-8-16(13(15)17)10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChIKey HXVPNXNKAXNEKL-UHFFFAOYSA-N
Molecular Weight 252.745 g/mol
SMILES C1(N(CCC(N1C)CCl)Cc1ccccc1)=O
SPLASH splash10-0f6x-8090000000-3dc9692504ef7e168aa7
Source of Spectrum C-110-4000-0
Synonyms 1-Benzyl-3-methyl-4-(chloromethyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone 1-Benzyl-4-(chloromethyl)-3-methyltetrahydro-2(1H)-pyrimidinone
Wiley ID 1255396