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5-Methyl-2-chloromethylene-1-propylpyrrolizidine

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

5-Methyl-2-chloromethylene-1-propylpyrrolizidine
SpectraBase Compound ID ExAxH19WvVl
InChI InChI=1S/C12H20ClN/c1-3-4-11-10(7-13)8-14-9(2)5-6-12(11)14/h7,9,11-12H,3-6,8H2,1-2H3
InChIKey PURGDSPZFHDRDL-UHFFFAOYSA-N
Mol Weight 213.75 g/mol
Molecular Formula C12H20ClN
Exact Mass 213.128427 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1jKFXtPvjKu
Name 5-Methyl-2-chloromethylene-1-propylpyrrolizidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 213.128427348 u
Formula C12H20ClN
InChI InChI=1S/C12H20ClN/c1-3-4-11-10(7-13)8-14-9(2)5-6-12(11)14/h7,9,11-12H,3-6,8H2,1-2H3
InChIKey PURGDSPZFHDRDL-UHFFFAOYSA-N
Molecular Weight 213.752 g/mol
SMILES C12N(CC(C2CCC)=CCl)C(CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814315