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N-1,3-octadienyl-2-pyrrolidinone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-1,3-octadienyl-2-pyrrolidinone
SpectraBase Compound ID 7QeUp29kacH
InChI InChI=1S/C12H19NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h5-7,10H,2-4,8-9,11H2,1H3/b6-5+,10-7+
InChIKey RXWAKFQTZMYFKB-WEYXYWBQSA-N
Mol Weight 193.29 g/mol
Molecular Formula C12H19NO
Exact Mass 193.146664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ITU4sx0fTAV
Name N-1,3-Octadienyl-2-pyrrolidinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 193.146664235 u
Formula C12H19NO
InChI InChI=1S/C12H19NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h5-7,10H,2-4,8-9,11H2,1H3/b6-5+,10-7+
InChIKey RXWAKFQTZMYFKB-WEYXYWBQSA-N
Molecular Weight 193.290 g/mol
SMILES C1(N(CCC1)\C=C\C=C\CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960494