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2,2-Dimethylpropionic acid, 3-(4-amino-2-oxo-2H-pyrimidin-1-ylmethoxy)-5-benzyloxypentyl ester
SpectraBase Compound ID 8M1ai2ykoTf
InChI InChI=1S/C22H31N3O5/c1-22(2,3)20(26)29-14-11-18(10-13-28-15-17-7-5-4-6-8-17)30-16-25-12-9-19(23)24-21(25)27/h4-9,12,18H,10-11,13-16H2,1-3H3,(H2,23,24,27)
InChIKey NLADUOZYPJBORX-UHFFFAOYSA-N
Mol Weight 417.51 g/mol
Molecular Formula C22H31N3O5
Exact Mass 417.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YvnjqjWADo
Name 2,2-DIMETHYLPROPIONIC ACID, 3-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YLMETHOXY)-5-BENZYLOXYPENTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H31N3O5
InChI InChI=1S/C22H31N3O5/c1-22(2,3)20(26)29-14-11-18(10-13-28-15-17-7-5-4-6-8-17)30-16-25-12-9-19(23)24-21(25)27/h4-9,12,18H,10-11,13-16H2,1-3H3,(H2,23,24,27)
InChIKey NLADUOZYPJBORX-UHFFFAOYSA-N
Molecular Weight 417.2256
SMILES NC=1C=CN(C(N1)=O)COC(CCOCc1ccccc1)CCOC(=O)C(C)(C)C
SPLASH splash10-0006-9700000000-cbc9de944ba842a958e5
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany