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3-Nitrobiphenyl
SpectraBase Compound ID FBiwIL0DThF
InChI InChI=1S/C12H9NO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKey FYRPEHRWMVMHQM-UHFFFAOYSA-N
Mol Weight 199.21 g/mol
Molecular Formula C12H9NO2
Exact Mass 199.063329 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4m6RlrKDF6
Name 3-Nitrobiphenyl
CAS Registry Number 2113-58-8
Classification Chemical
Copyright Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 199.063328532 u
Formula C12H9NO2
InChI InChI=1S/C12H9NO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
InChIKey FYRPEHRWMVMHQM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 199.209 g/mol
SMILES c1c(cc(cc1)[N+]([O-])=O)-c1ccccc1
SPLASH splash10-0udi-3900000000-9b9ed830cda30a0a3c91
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_9198
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