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2-Isopropoxycarbonylmethylthio-uracil
SpectraBase Compound ID 75jNbtS5SfZ
InChI InChI=1S/C9H12N2O3S/c1-6(2)14-8(13)5-15-9-10-4-3-7(12)11-9/h3-4,6H,5H2,1-2H3,(H,10,11,12)
InChIKey CEJVANZIFCXEJN-UHFFFAOYSA-N
Mol Weight 228.27 g/mol
Molecular Formula C9H12N2O3S
Exact Mass 228.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID He1lt1VTRT6
Name Isopropyl [(6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetate
CAS Registry Number 79361-44-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O3S
InChI InChI=1S/C9H12N2O3S/c1-6(2)14-8(13)5-15-9-10-4-3-7(12)11-9/h3-4,6H,5H2,1-2H3,(H,10,11,12)
InChIKey CEJVANZIFCXEJN-UHFFFAOYSA-N
Molecular Weight 228.266 g/mol
SMILES N1C(=NC=CC1=O)SCC(=O)OC(C)C
SPLASH splash10-0006-4910000000-1aa29ae218a12d50abc9
Source of Spectrum 0-16-222-4
Synonyms 2-(Isopropoxycarbonyl)-methylenethiouracil 2-[(6-keto-1H-pyrimidin-2-yl)thio]acetic acid isopropyl ester 2-[(6-oxo-1H-pyrimidin-2-yl)thio]acetic acid propan-2-yl ester isopropyl 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Propan-2-yl 2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Propan-2-yl 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
Wiley ID 1229130