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1-(1-(Benzo[D][1,3]dioxol-5-yl)pentan-2-yl)pyrrolidine

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1-(1-(Benzo[D][1,3]dioxol-5-yl)pentan-2-yl)pyrrolidine
SpectraBase Compound ID ByJ0cfMkfsn
InChI InChI=1S/C16H23NO2/c1-2-5-14(17-8-3-4-9-17)10-13-6-7-15-16(11-13)19-12-18-15/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKey KCRLUPWNSSTKAQ-UHFFFAOYSA-N
Mol Weight 261.36 g/mol
Molecular Formula C16H23NO2
Exact Mass 261.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CD2PjwIndzl
Name 1-(1-(Benzo[D][1,3]dioxol-5-yl)pentan-2-yl)pyrrolidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.172878983 u
Formula C16H23NO2
InChI InChI=1S/C16H23NO2/c1-2-5-14(17-8-3-4-9-17)10-13-6-7-15-16(11-13)19-12-18-15/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKey KCRLUPWNSSTKAQ-UHFFFAOYSA-N
Molecular Weight 261.365 g/mol
SMILES C1(CC(N2CCCC2)CCC)=CC2=C(C=C1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860805