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2-Nitro-1-cyclooctanone
SpectraBase Compound ID Ippw5hl9SjZ
InChI InChI=1S/C8H13NO3/c10-8-6-4-2-1-3-5-7(8)9(11)12/h7H,1-6H2
InChIKey QSJIVGDXHUYGKK-UHFFFAOYSA-N
Mol Weight 171.2 g/mol
Molecular Formula C8H13NO3
Exact Mass 171.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Q5tUpJUEpr
Name 2-Nitro-1-cyclooctanone
Alternate Name(s) 2-Nitrocyclooctan-1-one 2-Nitrocyclooctanone
CAS Registry Number 95338-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO3
InChI InChI=1S/C8H13NO3/c10-8-6-4-2-1-3-5-7(8)9(11)12/h7H,1-6H2
InChIKey QSJIVGDXHUYGKK-UHFFFAOYSA-N
Molecular Weight 171.196 g/mol
SMILES C1(N(=O)=O)C(=O)CCCCCC1
SPLASH splash10-0006-9000000000-66b9a019313889c30fdb
Source of Spectrum H-67-1720-0
Wiley ID 1167862