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GAZZTEJDUGESGQ-UHFFFAOYSA-N
SpectraBase Compound ID EUQIfzxMVgH
InChI InChI=1S/C8H5NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H
InChIKey GAZZTEJDUGESGQ-UHFFFAOYSA-N
Mol Weight 147.13 g/mol
Molecular Formula C8H5NO2
Exact Mass 147.032028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdAFBbhSn4X
Name 1-Ethynyl-4-nitrobenzene
CAS Registry Number 937-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO2
InChI InChI=1S/C8H5NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H
InChIKey GAZZTEJDUGESGQ-UHFFFAOYSA-N
Molecular Weight 147.133 g/mol
SMILES c1(N(=O)=O)ccc(C#C)cc1
SPLASH splash10-0udj-5900000000-252adf00761f37942dc2
Source of Spectrum IC-219-0-0
Synonyms 4-Nitrophenylacetylene Benzene, 1-ethynyl-4-nitro- p-Nitrophenylacetylene
Wiley ID 1144793