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Benzyl 2-(isopropoxymethyl)-pyrrolidine-1-carboxylate

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

Benzyl 2-(isopropoxymethyl)-pyrrolidine-1-carboxylate
SpectraBase Compound ID AnsheQejqSL
InChI InChI=1S/C16H23NO3/c1-13(2)19-12-15-9-6-10-17(15)16(18)20-11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKey RWHWBFHYSAOTRI-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7AjdBSLgwIL
Name Benzyl 2-(isopropoxymethyl)-pyrrolidine-1-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.167793602 u
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-13(2)19-12-15-9-6-10-17(15)16(18)20-11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKey RWHWBFHYSAOTRI-UHFFFAOYSA-N
SMILES C=1(C=CC=CC1)COC(=O)N1C(CCC1)COC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.840291