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Octanenitrile, 3,5,7-trioxo-
SpectraBase Compound ID DQoMQabmR66
InChI InChI=1S/C8H9NO3/c1-6(10)4-8(12)5-7(11)2-3-9/h2,4-5H2,1H3
InChIKey LQSWTFHDYGMBBF-UHFFFAOYSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hhh96CVo5VS
Name Octanenitrile, 3,5,7-trioxo-
CAS Registry Number 115706-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-6(10)4-8(12)5-7(11)2-3-9/h2,4-5H2,1H3
InChIKey LQSWTFHDYGMBBF-UHFFFAOYSA-N
Molecular Weight 167.164 g/mol
SMILES C(#N)CC(CC(CC(=O)C)=O)=O
SPLASH splash10-0006-9100000000-9106798fb1eed16d2f52
Source of Spectrum C-110-6184-22
Synonyms 3,5,7-Trioxooctanenitrile 3,5,7-Tris(oxidanylidene)octanenitrile
Wiley ID 1163538