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N-[(5-Bromo-6-uracilyl)acetyl]-D,L-threonine N-Ethylamide
SpectraBase Compound ID 1CbfofWluK3
InChI InChI=1S/C12H17BrN4O5/c1-3-14-11(21)9(5(2)18)16-7(19)4-6-8(13)10(20)17-12(22)15-6/h5,9,18H,3-4H2,1-2H3,(H,14,21)(H,16,19)(H2,15,17,20,22)/t5-,9+/m1/s1
InChIKey DPACHTCFOUHMTF-ANLVUFKYSA-N
Mol Weight 377.19 g/mol
Molecular Formula C12H17BrN4O5
Exact Mass 376.038233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31AD6Bbs0gq
Name N-[(5-Bromo-6-uracilyl)acetyl]-D,L-threonine N-Ethylamide
Alternate Name(s) (2S,3R)-2-{[(5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)acetyl]amino}-N-ethyl-3-hydroxybutanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17BrN4O5
InChI InChI=1S/C12H17BrN4O5/c1-3-14-11(21)9(5(2)18)16-7(19)4-6-8(13)10(20)17-12(22)15-6/h5,9,18H,3-4H2,1-2H3,(H,14,21)(H,16,19)(H2,15,17,20,22)/t5-,9+/m1/s1
InChIKey DPACHTCFOUHMTF-ANLVUFKYSA-N
Molecular Weight 377.195 g/mol
SMILES N1C(C(=C(CC(N[C@@]([C@](O)(C)[H])(C(=O)NCC)[H])=O)NC1=O)Br)=O
SPLASH splash10-0036-9010000000-7b30462ea62f278a7efc
Source of Spectrum C-109-1796-2
Wiley ID 1357395