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Benzenepropanoic acid, .alpha.-[[(aminocarbonyl)oxy]methyl]-4-chloro-.beta.-hydroxy-.alpha.- methyl-
SpectraBase Compound ID 4PGUMGAZ2QB
InChI InChI=1S/C12H14ClNO5/c1-12(10(16)17,6-19-11(14)18)9(15)7-2-4-8(13)5-3-7/h2-5,9,15H,6H2,1H3,(H2,14,18)(H,16,17)
InChIKey CCHBBNRMIGKAFV-UHFFFAOYSA-N
Mol Weight 287.7 g/mol
Molecular Formula C12H14ClNO5
Exact Mass 287.05605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Grtm10nwAle
Name Benzenepropanoic acid, .alpha.-[[(aminocarbonyl)oxy]methyl]-4-chloro-.beta.-hydroxy-.alpha.- methyl-
CAS Registry Number 31758-89-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClNO5
InChI InChI=1S/C12H14ClNO5/c1-12(10(16)17,6-19-11(14)18)9(15)7-2-4-8(13)5-3-7/h2-5,9,15H,6H2,1H3,(H2,14,18)(H,16,17)
InChIKey CCHBBNRMIGKAFV-UHFFFAOYSA-N
Molecular Weight 287.699 g/mol
SMILES OC(C(COC(=O)N)(C(c1ccc(cc1)Cl)O)C)=O
SPLASH splash10-052f-9300000000-70c2da3f1872fd4a116c
Source of Spectrum AF-14-388-4
Synonyms 2-Carboxy-1-(p-chlorophenyl)-2-methyl-1,3-propanediol 3 carbamate 2-{[(aminocarbonyl)oxy]methyl}-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid Hydracrylic acid, 3-(p-chlorophenyl)-2-(hydroxymethyl)-2-methyl-, 2-carbamate
Wiley ID 1290616