SpectraBase Compound ID | DWlEqiQsjSx |
---|---|
InChI | InChI=1S/C7H12ClNO/c8-7-2-1-5(9-7)3-6-4-10-6/h5-7,9H,1-4H2 |
InChIKey | WPOYGPHBIJRDOY-UHFFFAOYSA-N |
Mol Weight | 161.63 g/mol |
Molecular Formula | C7H12ClNO |
Exact Mass | 161.060742 g/mol |
SpectraBase Spectrum ID | 9HduR3l4LcV |
---|---|
Name | 2-Chloro-5-(2-oxiranylmethyl)pyrrolidine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 161.060741709 u |
Formula | C7H12ClNO |
InChI | InChI=1S/C7H12ClNO/c8-7-2-1-5(9-7)3-6-4-10-6/h5-7,9H,1-4H2 |
InChIKey | WPOYGPHBIJRDOY-UHFFFAOYSA-N |
Molecular Weight | 161.632 g/mol |
SMILES | C1(OC1)CC1NC(Cl)CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814064 |