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1(4H)-Quinazolineacetonitrile, 4-oxo-
SpectraBase Compound ID IaD72LDpxv9
InChI InChI=1S/C10H7N3O/c11-5-6-13-7-12-10(14)8-3-1-2-4-9(8)13/h1-4,7H,6H2
InChIKey MIMOTKHIIDCKPC-UHFFFAOYSA-N
Mol Weight 185.19 g/mol
Molecular Formula C10H7N3O
Exact Mass 185.058912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LCL3FqjclB
Name 1(4H)-Quinazolineacetonitrile, 4-oxo-
CAS Registry Number 106634-17-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7N3O
InChI InChI=1S/C10H7N3O/c11-5-6-13-7-12-10(14)8-3-1-2-4-9(8)13/h1-4,7H,6H2
InChIKey MIMOTKHIIDCKPC-UHFFFAOYSA-N
Molecular Weight 185.186 g/mol
SMILES C1(N=CN(c2ccccc12)CC#N)=O
SPLASH splash10-0f80-0900000000-0de6a8a0f232f0f0971d
Source of Spectrum AH-117-507-8
Synonyms (4-Oxo-1(4H)-quinazolinyl)acetonitrile 3-Cyanomethyl-1,3-benzodiazine-8-one 2-(4-oxo-1-quinazolinyl)acetonitrile 2-(4-oxoquinazolin-1-yl)acetonitrile 2-(4-oxidanylidenequinazolin-1-yl)ethanenitrile
Wiley ID 1181867