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Thiocyanic acid, 3-(acetylamino)-4-(acetylmethylamino)phenyl ester
SpectraBase Compound ID 3fg06bxTUoH
InChI InChI=1S/C12H13N3O2S/c1-8(16)14-11-6-10(18-7-13)4-5-12(11)15(3)9(2)17/h4-6H,1-3H3,(H,14,16)
InChIKey NVAYSYMYHWDHPG-UHFFFAOYSA-N
Mol Weight 263.31 g/mol
Molecular Formula C12H13N3O2S
Exact Mass 263.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhX30efXJoq
Name Thiocyanic acid, 3-(acetylamino)-4-(acetylmethylamino)phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O2S
InChI InChI=1S/C12H13N3O2S/c1-8(16)14-11-6-10(18-7-13)4-5-12(11)15(3)9(2)17/h4-6H,1-3H3,(H,14,16)
InChIKey NVAYSYMYHWDHPG-UHFFFAOYSA-N
Molecular Weight 263.315 g/mol
SMILES N(c1c(N(C)C(C)=O)ccc(SC#N)c1)C(C)=O
SPLASH splash10-002f-9630000000-a573d9f62c3c07052fee
Source of Spectrum JX-2015-2-226
Synonyms N-(2-acetamido-4-thiocyanatophenyl)-N-methylacetamide 3-(acetylamino)-4-[acetyl(methyl)amino]phenyl thiocyanate [3-acetamido-4-[acetyl(methyl)amino]phenyl] thiocyanate [3-acetamido-4-[ethanoyl(methyl)amino]phenyl] thiocyanate
Wiley ID 1721968