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(2S,4S)-3-Acryloyl-2-tert-butyl-6-oxohexahydropyrimidine-4-carboxylic acid
SpectraBase Compound ID F8tbAwpJMAP
InChI InChI=1S/C12H18N2O4/c1-5-9(16)14-7(10(17)18)6-8(15)13-11(14)12(2,3)4/h5,7,11H,1,6H2,2-4H3,(H,13,15)(H,17,18)/t7-,11-/m0/s1
InChIKey GUQCPCDMNIYXGH-CPCISQLKSA-N
Mol Weight 254.29 g/mol
Molecular Formula C12H18N2O4
Exact Mass 254.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TV50oVH9MT
Name (2S,4S)-3-Acryloyl-2-tert-butyl-6-oxohexahydropyrimidine-4-carboxylic acid
Alternate Name(s) (2S,4R)-3-Acryloyl-2-tert-butyl-6-oxohexahydropyrimidine-4-carboxylic acid (2S,4S)-3-acryloyl-2-tert-butyl-6-oxohexahydro-4-pyrimidinecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N2O4
InChI InChI=1S/C12H18N2O4/c1-5-9(16)14-7(10(17)18)6-8(15)13-11(14)12(2,3)4/h5,7,11H,1,6H2,2-4H3,(H,13,15)(H,17,18)/t7-,11-/m0/s1
InChIKey GUQCPCDMNIYXGH-CPCISQLKSA-N
Molecular Weight 254.286 g/mol
SMILES N1C(C[C@@](C(=O)O)(N([C@]1(C(C)(C)C)[H])C(C=C)=O)[H])=O
SPLASH splash10-052e-6910000000-97cb20e7068d5eb2131e
Source of Spectrum KC-61-9500-1
Wiley ID 1630677