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2-Nitrocinnamyl Alcohol
SpectraBase Compound ID 3JMialHit54
InChI InChI=1S/C9H9NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-6,11H,7H2/b5-3+
InChIKey JQDUHQARXQIRHF-HWKANZROSA-N
Mol Weight 179.17 g/mol
Molecular Formula C9H9NO3
Exact Mass 179.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4bk6JELnmC
Name 2-Nitrocinnamyl Alcohol
Alternate Name(s) (E)-3-(2-Nitrophenyl)prop-2-en-1-ol (E)-3-(2-nitrophenyl)-2-propen-1-ol
CAS Registry Number 1504-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO3
InChI InChI=1S/C9H9NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-6,11H,7H2/b5-3+
InChIKey JQDUHQARXQIRHF-HWKANZROSA-N
Molecular Weight 179.175 g/mol
SMILES OC\C=C\c1c(N(=O)=O)cccc1
SPLASH splash10-0fbc-9500000000-062b1f13d00aca2780d8
Source of Spectrum KC-0-1245-5
Wiley ID 787887