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Benzene, [1-(nitromethylene)propyl]-
SpectraBase Compound ID 4jzrNI30XuR
InChI InChI=1S/C10H11NO2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h3-8H,2H2,1H3/b9-8+
InChIKey HXVYUAMAHUHRLB-CMDGGOBGSA-N
Mol Weight 177.2 g/mol
Molecular Formula C10H11NO2
Exact Mass 177.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkuXWryPMPK
Name Benzene, [1-(nitromethylene)propyl]-
Alternate Name(s) 1-Nitro-2-phenyl-1-butene [(E)-1-ethyl-2-nitroethenyl]benzene
CAS Registry Number 119880-58-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO2
InChI InChI=1S/C10H11NO2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h3-8H,2H2,1H3/b9-8+
InChIKey HXVYUAMAHUHRLB-CMDGGOBGSA-N
Molecular Weight 177.203 g/mol
SMILES c1(\C(=C\N(=O)=O)CC)ccccc1
SPLASH splash10-00nf-8900000000-7c53909b5f453de5a062
Source of Spectrum J-54-1803-1
Wiley ID 1173182