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1-Butyl-1-(3-nitro-2-phenylpropyl)cyclopentane

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

1-Butyl-1-(3-nitro-2-phenylpropyl)cyclopentane
SpectraBase Compound ID BegzRzWNebA
InChI InChI=1S/C18H27NO2/c1-2-3-11-18(12-7-8-13-18)14-17(15-19(20)21)16-9-5-4-6-10-16/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3
InChIKey HUHBLWBHUYDEGR-UHFFFAOYSA-N
Mol Weight 289.42 g/mol
Molecular Formula C18H27NO2
Exact Mass 289.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lg9dkvyjlJr
Name 1-Butyl-1-(3-nitro-2-phenylpropyl)cyclopentane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.204179111 u
Formula C18H27NO2
InChI InChI=1S/C18H27NO2/c1-2-3-11-18(12-7-8-13-18)14-17(15-19(20)21)16-9-5-4-6-10-16/h4-6,9-10,17H,2-3,7-8,11-15H2,1H3
InChIKey HUHBLWBHUYDEGR-UHFFFAOYSA-N
SMILES C(N(=O)=O)C(CC1(CCCC)CCCC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809581