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6-(Ethoxymethyl)-5-(4-isopropoxybenzyl)-2-sulfanyl-4-pyrimidinol

View entire compound with spectra: 2 MS (GC)

6-(Ethoxymethyl)-5-(4-isopropoxybenzyl)-2-sulfanyl-4-pyrimidinol
SpectraBase Compound ID 6hT2WyyBlfc
InChI InChI=1S/C17H22N2O3S/c1-4-21-10-15-14(16(20)19-17(23)18-15)9-12-5-7-13(8-6-12)22-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,18,19,20,23)
InChIKey CBIQQLIAXBWGCW-UHFFFAOYSA-N
Mol Weight 334.43 g/mol
Molecular Formula C17H22N2O3S
Exact Mass 334.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9S22dwl2eVI
Name 4-(ETHOXYMETHYL)-6-HYDROXY-5-(4-ISOPROPOXYBENZYL)-2-MERCAPTOPYRIMIDINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H22N2O3S
InChI InChI=1S/C17H22N2O3S/c1-4-21-10-15-14(16(20)19-17(23)18-15)9-12-5-7-13(8-6-12)22-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,18,19,20,23)
InChIKey CBIQQLIAXBWGCW-UHFFFAOYSA-N
Molecular Weight 334.1346
SMILES Oc1nc(S)nc(c1Cc1ccc(OC(C)C)cc1)COCC
SPLASH splash10-0a4m-6941000000-37542300d68fc531d93d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany