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3-[1-CYClOHEXYLPROPYNYL]-QUINAZOLIN-4-(3-H)-ONE
SpectraBase Compound ID EXjkJjQNT7p
InChI InChI=1S/C16H16N2O/c1-2-16(10-6-3-7-11-16)18-12-17-14-9-5-4-8-13(14)15(18)19/h1,4-5,8-9,12H,3,6-7,10-11H2
InChIKey CPAKEBVSFFCEDV-UHFFFAOYSA-N
Mol Weight 252.32 g/mol
Molecular Formula C16H16N2O
Exact Mass 252.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lENyZVhsUK
Name 3-(1-Ethynylcyclohexyl)-4-quinazolinone
CAS Registry Number 132782-95-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O
InChI InChI=1S/C16H16N2O/c1-2-16(10-6-3-7-11-16)18-12-17-14-9-5-4-8-13(14)15(18)19/h1,4-5,8-9,12H,3,6-7,10-11H2
InChIKey CPAKEBVSFFCEDV-UHFFFAOYSA-N
Molecular Weight 252.317 g/mol
SMILES C1(N(C=Nc2ccccc12)C1(C#C)CCCCC1)=O
SPLASH splash10-006t-4970000000-a801436c2dcbe3f6506e
Source of Spectrum Y-27-1954-2
Synonyms 3-(1-Ethynylcyclohexyl)quinazolin-4-one
Wiley ID 1256082