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Azulene, 1-(2-nitroethenyl)-, (E)-
SpectraBase Compound ID 9endv9ss3mS
InChI InChI=1S/C12H9NO2/c14-13(15)9-8-11-7-6-10-4-2-1-3-5-12(10)11/h1-9H/b9-8+
InChIKey YGHVKDZTUVWVIZ-CMDGGOBGSA-N
Mol Weight 199.21 g/mol
Molecular Formula C12H9NO2
Exact Mass 199.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AExrMyLXegU
Name Azulene, 1-(2-nitroethenyl)-, (E)-
CAS Registry Number 96995-27-6
Comments Less than 3 mono-isotopic peaks
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Formula C12H9NO2
InChI InChI=1S/C12H9NO2/c14-13(15)9-8-11-7-6-10-4-2-1-3-5-12(10)11/h1-9H/b9-8+
InChIKey YGHVKDZTUVWVIZ-CMDGGOBGSA-N
Molecular Weight 199.209 g/mol
SMILES c1(\C=C\N(=O)=O)c2c(ccccc2)cc1
SPLASH splash10-0002-0910000000-2c78e4d935c3b62ec66a
Source of Spectrum AJ-58-370-11
Synonyms 1-(2-Nitroethenyl)azulene 1-[(E)-2-nitroethenyl]azulene
Wiley ID 1196779