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Isoamylnitrite
SpectraBase Compound ID 7F8fY9Z1x8k
InChI InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3
InChIKey OWFXIOWLTKNBAP-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C5H11NO2
Exact Mass 117.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HDm15GcG8x
Name Amylnitrite
CAS Registry Number 110-46-3
Classification Coronary dilator
Comments Original RI info: <1000
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Exact Mass 117.078978596 u
Formula C5H11NO2
InChI InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3
InChIKey OWFXIOWLTKNBAP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 117.148 g/mol
SMILES C(CON=O)C(C)C
SPLASH splash10-0006-9000000000-9cf07d7a3e1d69cf6c21
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_58