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3-(4-Bromophenyl)-4,6,6-trimethyl-2-(methylsulfanyl)-3,4,5,6-tetrahydro-4-pyrimidinol
SpectraBase Compound ID 9nnkjoJy1Ob
InChI InChI=1S/C14H19BrN2OS/c1-13(2)9-14(3,18)17(12(16-13)19-4)11-7-5-10(15)6-8-11/h5-8,18H,9H2,1-4H3
InChIKey ZRXWXWCDHULUJX-UHFFFAOYSA-N
Mol Weight 343.28 g/mol
Molecular Formula C14H19BrN2OS
Exact Mass 342.040147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A33LD37ORKd
Name 3-(4-Bromophenyl)-4,6,6-trimethyl-2-(methylsulfanyl)-3,4,5,6-tetrahydro-4-pyrimidinol
CAS Registry Number 82899-16-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19BrN2OS
InChI InChI=1S/C14H19BrN2OS/c1-13(2)9-14(3,18)17(12(16-13)19-4)11-7-5-10(15)6-8-11/h5-8,18H,9H2,1-4H3
InChIKey ZRXWXWCDHULUJX-UHFFFAOYSA-N
Molecular Weight 343.283 g/mol
SMILES OC1(CC(C)(C)N=C(SC)N1c1ccc(cc1)Br)C
SPLASH splash10-0002-5901000000-12d89bdc425bf956b0e4
Source of Spectrum HC-19-1024-0
Synonyms 3-(4-Bromophenyl)-4-hydroxy-2-methylthio-4,6,6-trimethyl-3,4,5,6-tetrahydropyrimidine 3-(4-bromophenyl)-4,6,6-trimethyl-2-methylsulfanyl-5H-pyrimidin-4-ol
Wiley ID 1336255