For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Propionic acid, 3-pyrrol3-(1,2,3,4-tetrahydro-5-fluoro-2,4-dioxopyrimid-1-yl)propionylamino]-3-phenyl-, methyl ester
SpectraBase Compound ID F9XXjHiXY1v
InChI InChI=1S/C17H18FN3O5/c1-26-15(23)9-13(11-5-3-2-4-6-11)19-14(22)7-8-21-10-12(18)16(24)20-17(21)25/h2-6,10,13H,7-9H2,1H3,(H,19,22)(H,20,24,25)
InChIKey VENWBGNFXFGREF-UHFFFAOYSA-N
Mol Weight 363.35 g/mol
Molecular Formula C17H18FN3O5
Exact Mass 363.123049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3rPQYmenSR2
Name Propionic acid, 3-pyrrol3-(1,2,3,4-tetrahydro-5-fluoro-2,4-dioxopyrimid-1-yl)propionylamino]-3-phenyl-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18FN3O5
InChI InChI=1S/C17H18FN3O5/c1-26-15(23)9-13(11-5-3-2-4-6-11)19-14(22)7-8-21-10-12(18)16(24)20-17(21)25/h2-6,10,13H,7-9H2,1H3,(H,19,22)(H,20,24,25)
InChIKey VENWBGNFXFGREF-UHFFFAOYSA-N
Molecular Weight 363.345 g/mol
SMILES N(C(CC(=O)OC)c1ccccc1)C(CCN1C(NC(C(=C1)F)=O)=O)=O
SPLASH splash10-004i-3900000000-24b29fb6ecda15f7371b
Synonyms 3-[3-(5-fluoro-2,4-diketo-pyrimidin-1-yl)propanoylamino]-3-phenyl-propionic acid methyl ester 3-[[3-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester Methyl 3-([3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl]amino)-3-phenylpropanoate Methyl 3-[3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoylamino]-3-phenyl-propanoate Methyl 3-[3-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoylamino]-3-phenyl-propanoate
Wiley ID 1439984