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Heptanenitrile, 4-acetyl-
SpectraBase Compound ID D29jY6HK81v
InChI InChI=1S/C9H15NO/c1-3-5-9(8(2)11)6-4-7-10/h9H,3-6H2,1-2H3
InChIKey QFLFYMSAKSBTEL-UHFFFAOYSA-N
Mol Weight 153.22 g/mol
Molecular Formula C9H15NO
Exact Mass 153.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5y0egFynaxV
Name Heptanenitrile, 4-acetyl-
CAS Registry Number 55320-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO
InChI InChI=1S/C9H15NO/c1-3-5-9(8(2)11)6-4-7-10/h9H,3-6H2,1-2H3
InChIKey QFLFYMSAKSBTEL-UHFFFAOYSA-N
Molecular Weight 153.225 g/mol
SMILES C(C(CCC)C(C)=O)CC#N
SPLASH splash10-0229-9200000000-aead408a612582f30c1b
Source of Spectrum SD-1981-0-0
Synonyms 4-Acetylheptanenitrile 4-Acetylenanthonitrile 4-Ethanoylheptanenitrile
Wiley ID 1150446