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1-(Oct-1-en-1-yl)pyrrolidine
SpectraBase Compound ID IF9yys3cjph
InChI InChI=1S/C12H23N/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h7,10H,2-6,8-9,11-12H2,1H3/b10-7-
InChIKey NXALTWDMILBHGT-YFHOEESVSA-N
Mol Weight 181.32 g/mol
Molecular Formula C12H23N
Exact Mass 181.18305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHmfhFZ78y0
Name 1-(Oct-1-en-1-yl)pyrrolidine
CAS Registry Number 13937-91-2
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 181.183049745 u
Formula C12H23N
InChI InChI=1S/C12H23N/c1-2-3-4-5-6-7-10-13-11-8-9-12-13/h7,10H,2-6,8-9,11-12H2,1H3/b10-7-
InChIKey NXALTWDMILBHGT-YFHOEESVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 181.323 g/mol
Nominal Mass 181 u
Quality 985
Retention Index 1373
SMILES C1N(CCC1)\C=C/CCCCCC
SPLASH splash10-03di-3900000000-a20089ca09baf6b8c575
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_024693