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trans-β-Methyl-β-nitrostyrene
SpectraBase Compound ID LLgc8D40mTI
InChI InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
InChIKey WGSVFWFSJDAYBM-BQYQJAHWSA-N
Mol Weight 163.18 g/mol
Molecular Formula C9H9NO2
Exact Mass 163.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2obfzSG0QYS
Name P2NP
CAS Registry Number 18315-84-9
Classification Designer drug precursor
Comments Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 163.063328532 u
Formula C9H9NO2
InChI InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
InChIKey WGSVFWFSJDAYBM-BQYQJAHWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 163.176 g/mol
Nominal Mass 163 u
Quality 991
Retention Index 1459
SMILES C=1(\C=C/([N+](=O)[O-])C)C=CC=CC1
SPLASH splash10-014i-5900000000-69a21ba9287d067f25ec
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (E)-(2-Nitroprop-1-en-1-yl)benzene 1-Phenyl-2-nitropropene
Technique GC/MS
Wiley ID DD2024_028575