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2-Allyl-5-nitro-phenol
SpectraBase Compound ID 4lSjTjKkHI3
InChI InChI=1S/C9H9NO3/c1-2-3-7-4-5-8(10(12)13)6-9(7)11/h2,4-6,11H,1,3H2
InChIKey ZNLRJPISPYWKRU-UHFFFAOYSA-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 oyBca2Mm3i
Name 2-allyl-5-nitro-phenol
Alternate Name(s) 5-nitro-2-prop-2-enyl-phenol
CAS Registry Number 58621-43-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO3
InChI InChI=1S/C9H9NO3/c1-2-3-7-4-5-8(10(12)13)6-9(7)11/h2,4-6,11H,1,3H2
InChIKey ZNLRJPISPYWKRU-UHFFFAOYSA-N
Molecular Weight 179.175 g/mol
SMILES Oc1cc(N(=O)=O)ccc1CC=C
SPLASH splash10-004i-0900000000-662ab8619aa0c1d78c60
Source of Spectrum KC-1981-2678-0
Wiley ID 1175079