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4-Pyrimidineacetic acid, 3-(ethoxycarbonyl)-1,2,3,4-tetrahydro-2-hydroxy-.alpha.-phenyl-, methyl ester
SpectraBase Compound ID 4qV2Nn9hdiq
InChI InChI=1S/C16H20N2O5/c1-3-23-16(21)18-12(9-10-17-15(18)20)13(14(19)22-2)11-7-5-4-6-8-11/h4-10,12-13,15,17,20H,3H2,1-2H3
InChIKey WNTIDPBTSSLWQA-UHFFFAOYSA-N
Mol Weight 320.34 g/mol
Molecular Formula C16H20N2O5
Exact Mass 320.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7viCWuOUe5
Name 4-Pyrimidineacetic acid, 3-(ethoxycarbonyl)-1,2,3,4-tetrahydro-2-hydroxy-.alpha.-phenyl-, methyl ester
CAS Registry Number 116693-08-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O5
InChI InChI=1S/C16H20N2O5/c1-3-23-16(21)18-12(9-10-17-15(18)20)13(14(19)22-2)11-7-5-4-6-8-11/h4-10,12-13,15,17,20H,3H2,1-2H3
InChIKey WNTIDPBTSSLWQA-UHFFFAOYSA-N
Molecular Weight 320.345 g/mol
SMILES N1C=CC(N(C1O)C(=O)OCC)C(C(=O)OC)c1ccccc1
SPLASH splash10-00do-0900000000-565549282d7376c2ffff
Source of Spectrum KC-1988-730-8
Synonyms 3-Ethoxycarbonyl-2-hydroxy-4-(.alpha.-methoxycarbonylbenzyl)-1,2,3,4-tetrahydropyrimidine Ethyl 2-hydroxy-6-(2-methoxy-2-oxo-1-phenylethyl)-3,6-dihydro-1(2H)-pyrimidinecarboxylate
Wiley ID 1319948