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1-(Benzo[D][1,3]dioxol-5-ylmethyl)pyrrolidine-2-carboxamide

View entire compound with spectra: 1 NMR, and 1 FTIR

1-(Benzo[D][1,3]dioxol-5-ylmethyl)pyrrolidine-2-carboxamide
SpectraBase Compound ID 2Wb6TGEXYuB
InChI InChI=1S/C13H16N2O3/c14-13(16)10-2-1-5-15(10)7-9-3-4-11-12(6-9)18-8-17-11/h3-4,6,10H,1-2,5,7-8H2,(H2,14,16)
InChIKey WIPQZIQVKUKTSH-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 22W6QduD3Xj
Name 1-(Benzo[D][1,3]dioxol-5-ylmethyl)pyrrolidine-2-carboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.116092380 u
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c14-13(16)10-2-1-5-15(10)7-9-3-4-11-12(6-9)18-8-17-11/h3-4,6,10H,1-2,5,7-8H2,(H2,14,16)
InChIKey WIPQZIQVKUKTSH-UHFFFAOYSA-N
Molecular Weight 248.282 g/mol
SMILES C1(N(CCC1)CC1=CC=C2OCOC2=C1)C(=O)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837179