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5-Nitroacenaphthene
SpectraBase Compound ID 7PJhwNujWSZ
InChI InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
InChIKey CUARLQDWYSRQDF-UHFFFAOYSA-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 3yVAcN9tkHp
Name 5-Nitroacenaphthalene
CAS Registry Number 602-87-9
Classification Chemical
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 199.063328532 u
Formula C12H9NO2
InChI InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
InChIKey CUARLQDWYSRQDF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 199.209 g/mol
SMILES C1c2c3c(cccc3c(cc2)[N+]([O-])=O)C1
SPLASH splash10-0udi-2900000000-1f1eeae6fa0fbad216dc
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_9202