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

*Links on SpectraBase are not permalinks.
L-Isoleucine, N-(1,2-dihydro-2-oxo-4-pyrimidinyl)-, methyl ester
SpectraBase Compound ID FwO4jEQwkaJ
InChI InChI=1S/C11H17N3O3/c1-4-7(2)9(10(15)17-3)13-8-5-6-12-11(16)14-8/h5-7,9H,4H2,1-3H3,(H2,12,13,14,16)/t7-,9-/m0/s1
InChIKey FOLQOJDIWXQGKX-CBAPKCEASA-N
Mol Weight 239.27 g/mol
Molecular Formula C11H17N3O3
Exact Mass 239.126991 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 DTtgiyVtbKF
Name L-Isoleucine, N-(1,2-dihydro-2-oxo-4-pyrimidinyl)-, methyl ester
CAS Registry Number 128765-63-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17N3O3
InChI InChI=1S/C11H17N3O3/c1-4-7(2)9(10(15)17-3)13-8-5-6-12-11(16)14-8/h5-7,9H,4H2,1-3H3,(H2,12,13,14,16)/t7-,9-/m0/s1
InChIKey FOLQOJDIWXQGKX-CBAPKCEASA-N
Molecular Weight 239.275 g/mol
SMILES N1C=CC(=NC1=O)N[C@](C(=O)OC)([C@](CC)(C)[H])[H]
SPLASH splash10-001i-2900000000-d5b8f61bbc4b86720a67
Source of Spectrum O-25-94-2
Synonyms Methyl (2S,3S)-3-methyl-2-[(2-oxo-1,2-dihydro-4-pyrimidinyl)amino]pentanoate Methyl 2-[(1H-2-oxo-4-pyrimidinyl)amino]-isohexanoate Methyl N-(1H-2-oxo-4-pyrimidinyl)amino(2-methylpropyl)acetate
Wiley ID 1241790