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1-Nitro-3-(2-(trifluoromethyl)cyclopropyl)benzene
SpectraBase Compound ID 5F1wIy2wWml
InChI InChI=1S/C10H8F3NO2/c11-10(12,13)9-5-8(9)6-2-1-3-7(4-6)14(15)16/h1-4,8-9H,5H2
InChIKey DHBWUJBSDNVHTQ-UHFFFAOYSA-N
Mol Weight 231.17 g/mol
Molecular Formula C10H8F3NO2
Exact Mass 231.050713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSfPSirEFqV
Name 1-Nitro-3-(2-(trifluoromethyl)cyclopropyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.050712989 u
Formula C10H8F3NO2
InChI InChI=1S/C10H8F3NO2/c11-10(12,13)9-5-8(9)6-2-1-3-7(4-6)14(15)16/h1-4,8-9H,5H2
InChIKey DHBWUJBSDNVHTQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208936
Molecular Weight 231.174 g/mol
Quality 743
SMILES C1(C(C1)C(F)(F)F)C1=CC(=CC=C1)[N+]([O-])=O
SPLASH splash10-0159-0920000000-c669a91e86d3fb5c25da
Source of Spectrum ACI-62-SM99-5 (DOI: 10.1002/anie.202208936)
Wiley ID 1908315