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Acetamide, N-[2-(3-cyano-2-oxopropyl)-4-methylphenyl]-
SpectraBase Compound ID FB9i5OhYisQ
InChI InChI=1S/C13H14N2O2/c1-9-3-4-13(15-10(2)16)11(7-9)8-12(17)5-6-14/h3-4,7H,5,8H2,1-2H3,(H,15,16)
InChIKey MRYAQTPUJMBNHR-UHFFFAOYSA-N
Mol Weight 230.27 g/mol
Molecular Formula C13H14N2O2
Exact Mass 230.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8p9UV7hzl84
Name Acetamide, N-[2-(3-cyano-2-oxopropyl)-4-methylphenyl]-
Alternate Name(s) N-[2-(3-cyano-2-oxopropyl)-4-methylphenyl]acetamid N-[2-(3-cyano-2-oxopropyl)-4-methylphenyl]acetamide
CAS Registry Number 104737-10-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2
InChI InChI=1S/C13H14N2O2/c1-9-3-4-13(15-10(2)16)11(7-9)8-12(17)5-6-14/h3-4,7H,5,8H2,1-2H3,(H,15,16)
InChIKey MRYAQTPUJMBNHR-UHFFFAOYSA-N
Molecular Weight 230.267 g/mol
SMILES N(c1c(CC(=O)CC#N)cc(cc1)C)C(=O)C
SPLASH splash10-00xs-0900000000-4db95ba09869486bcd7b
Source of Spectrum H-68-1839-5
Wiley ID 1231807