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Benzene, (1-methyl-7-nitro-4-tridecenyl)-
SpectraBase Compound ID C9huryL3W1D
InChI InChI=1S/C20H31NO2/c1-3-4-5-11-16-20(21(22)23)17-12-6-8-13-18(2)19-14-9-7-10-15-19/h6-7,9-10,12,14-15,18,20H,3-5,8,11,13,16-17H2,1-2H3/b12-6+
InChIKey XRQTYVXNWUIILO-WUXMJOGZSA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7928mtPHGPq
Name Benzene, (1-methyl-7-nitro-4-tridecenyl)-
Alternate Name(s) 2-Phenyl-8-nitro-5-tetradecene [(4E)-1-methyl-7-nitro-4-tridecenyl]benzene
CAS Registry Number 119729-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-3-4-5-11-16-20(21(22)23)17-12-6-8-13-18(2)19-14-9-7-10-15-19/h6-7,9-10,12,14-15,18,20H,3-5,8,11,13,16-17H2,1-2H3/b12-6+
InChIKey XRQTYVXNWUIILO-WUXMJOGZSA-N
Molecular Weight 317.473 g/mol
SMILES C(N(=O)=O)(C\C=C\CCC(c1ccccc1)C)CCCCCC
SPLASH splash10-0a4i-1900000000-0bf87f6f739711da5759
Source of Spectrum F-43-5415-3
Wiley ID 1317844