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1-Propanone, 3-[(aminocarbonyl)oxy]-1-(4-chlorophenyl)-2-(hydroxymethyl)-2-methyl-
SpectraBase Compound ID 8S0MJ8zM52G
InChI InChI=1S/C12H14ClNO4/c1-12(6-15,7-18-11(14)17)10(16)8-2-4-9(13)5-3-8/h2-5,15H,6-7H2,1H3,(H2,14,17)
InChIKey HKRGMTYLXDIYBJ-UHFFFAOYSA-N
Mol Weight 271.7 g/mol
Molecular Formula C12H14ClNO4
Exact Mass 271.061136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ccTgK0PiIX
Name 1-Propanone, 3-[(aminocarbonyl)oxy]-1-(4-chlorophenyl)-2-(hydroxymethyl)-2-methyl-
CAS Registry Number 31758-90-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClNO4
InChI InChI=1S/C12H14ClNO4/c1-12(6-15,7-18-11(14)17)10(16)8-2-4-9(13)5-3-8/h2-5,15H,6-7H2,1H3,(H2,14,17)
InChIKey HKRGMTYLXDIYBJ-UHFFFAOYSA-N
Molecular Weight 271.700 g/mol
SMILES NC(OCC(CO)(C(c1ccc(cc1)Cl)=O)C)=O
SPLASH splash10-000i-2900000000-1aa2a70d2ac1ec5750bb
Source of Spectrum MS-0-1279-5
Synonyms 2-(p-chlorobenzoyl)-2-methyl-1,3-propanediol carbamate 3-(4-Chlorophenyl)-2-(hydroxymethyl)-2-methyl-3-oxopropyl carbamate Propiophenone, 4'-chloro-2,2-bis(hydroxymethyl)-, monocarbamate
Wiley ID 1275107