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(+-)-(7-Nitromethyl)-3-cycloocten-1-one
SpectraBase Compound ID 9sVKCakSF2R
InChI InChI=1S/C9H13NO3/c11-9-5-3-1-2-4-8(6-9)7-10(12)13/h1,3,8H,2,4-7H2/b3-1-
InChIKey JLNSOJUKUZJZSP-IWQZZHSRSA-N
Mol Weight 183.21 g/mol
Molecular Formula C9H13NO3
Exact Mass 183.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrSKgxLFPf8
Name (+-)-(7-Nitromethyl)-3-cycloocten-1-one
Alternate Name(s) 7-(nitromethyl)-3-cycloocten-1-one
CAS Registry Number 123836-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO3
InChI InChI=1S/C9H13NO3/c11-9-5-3-1-2-4-8(6-9)7-10(12)13/h1,3,8H,2,4-7H2/b3-1-
InChIKey JLNSOJUKUZJZSP-IWQZZHSRSA-N
Molecular Weight 183.207 g/mol
SMILES C(N(=O)=O)C1CC(=O)C\C=C/CC1
SPLASH splash10-066u-9000000000-19d76955295f0012b056
Source of Spectrum C-112-331-10
Wiley ID 1179657