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1-(4-cyanophenyl)-3-propylurea
SpectraBase Compound ID 6XOTEv5T3PM
InChI InChI=1S/C11H13N3O/c1-2-7-13-11(15)14-10-5-3-9(8-12)4-6-10/h3-6H,2,7H2,1H3,(H2,13,14,15)
InChIKey LIPRXIQMXVJLMZ-UHFFFAOYSA-N
Mol Weight 203.25 g/mol
Molecular Formula C11H13N3O
Exact Mass 203.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KY2onADrj9
Name 1-(4-cyanophenyl)-3-propylurea
Appearance White crystal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.105862050 u
Formula C11H13N3O
InChI InChI=1S/C11H13N3O/c1-2-7-13-11(15)14-10-5-3-9(8-12)4-6-10/h3-6H,2,7H2,1H3,(H2,13,14,15)
InChIKey LIPRXIQMXVJLMZ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901140
Quality 784
SMILES N(C1=CC=C(C#N)C=C1)C(=O)NCCC
SPLASH splash10-0a4i-9300000000-43eb4923dc6b0c4eeb7d
Source of Spectrum K1-2019-SM120-F9 (DOI: 10.1002/ejoc.201901140)
Wiley ID 1898439