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APAAN
SpectraBase Compound ID A9UluBBg4V6
InChI InChI=1S/C10H9NO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3
InChIKey KHNWFTMUBKJWRZ-UHFFFAOYSA-N
Mol Weight 159.19 g/mol
Molecular Formula C10H9NO
Exact Mass 159.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eZ6BgEHGC
Name Acetoacetonitrile, 2-phenyl-
CAS Registry Number 4468-48-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO
InChI InChI=1S/C10H9NO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3
InChIKey KHNWFTMUBKJWRZ-UHFFFAOYSA-N
Molecular Weight 159.188 g/mol
SMILES C(C#N)(C(=O)C)c1ccccc1
SPLASH splash10-0ldl-8900000000-e037b4a4582ac13f40b1
Source of Spectrum AJ-42-280-26
Synonyms .alpha.-Aceto-.alpha.-cyanotoluene 3-Oxo-2-phenylbutanenitrile .alpha.-Phenylacetoacetonitrile .alpha.-Tolunitrile, .alpha.-acetyl- Benzeneacetonitrile, .alpha.-acetyl- 1-Cyano-1-phenyl-2-propanone 3-Oxo-2-phenyl-butanenitrile 3-keto-2-phenyl-butyronitrile 2-Acetyl-2-phenylacetonitrile 3-Oxidanylidene-2-phenyl-butanenitrile Acetoacetonitrile, .alpha.-phenyl- Acetonitrile, 2-acetyl-2-phenyl- Acetonitrile, phenylaceto Phenyl aceto-acetonitrile USAF PE-1 AI3-16132 BRN 0743161 EINECS 224-737-4 NSC 11777 NSC 25183 NSC 55206
Wiley ID 1567869