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Ethyl 2-[1-Acetoxy-2-(phenylthio)methyl]pyrimidine-5-carboxylate
SpectraBase Compound ID 7mPpJjk2XS6
InChI InChI=1S/C16H16N2O4S/c1-3-21-15(20)12-9-17-14(18-10-12)16(22-11(2)19)23-13-7-5-4-6-8-13/h4-10,16H,3H2,1-2H3
InChIKey IFBTWPUIKXKCQD-UHFFFAOYSA-N
Mol Weight 332.37 g/mol
Molecular Formula C16H16N2O4S
Exact Mass 332.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16sOddw8Gu1
Name Ethyl 2-[1-Acetoxy-2-(phenylthio)methyl]pyrimidine-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O4S
InChI InChI=1S/C16H16N2O4S/c1-3-21-15(20)12-9-17-14(18-10-12)16(22-11(2)19)23-13-7-5-4-6-8-13/h4-10,16H,3H2,1-2H3
InChIKey IFBTWPUIKXKCQD-UHFFFAOYSA-N
Molecular Weight 332.374 g/mol
SMILES C(c1ncc(cn1)C(=O)OCC)(OC(=O)C)Sc1ccccc1
SPLASH splash10-001i-0901000000-a7eb9a0fafe018741263
Source of Spectrum J-61-2483-51
Synonyms Ethyl 2-[(acetyloxy)(phenylsulfanyl)methyl]-5-pyrimidinecarboxylate
Wiley ID 1329165