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2-Nitropropane
SpectraBase Compound ID 7PfZw3KaBI7
InChI InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
InChIKey FGLBSLMDCBOPQK-UHFFFAOYSA-N
Mol Weight 89.09 g/mol
Molecular Formula C3H7NO2
Exact Mass 89.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GsU9UqXjdY
Name 2-Nitropropane
CAS Registry Number 79-46-9
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 89.047678467 u
Formula C3H7NO2
InChI InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
InChIKey FGLBSLMDCBOPQK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 89.094 g/mol
Nominal Mass 89 u
Quality 983
Retention Index 661
SMILES C([N+](=O)[O-])(C)C
SPLASH splash10-0006-9000000000-bdf01971706943921004
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_003259