SpectraBase Spectrum ID |
JPejr768i4N |
Name |
N-Acetyl-(S)-(-)-2-pyrrolidinemethyl chloromethyl ether |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
191.071306393 u |
Formula |
C8H14ClNO2 |
InChI |
InChI=1S/C8H14ClNO2/c1-7(11)10-4-2-3-8(10)5-12-6-9/h8H,2-6H2,1H3/t8-/m0/s1 |
InChIKey |
IDQUHKHSBUOKIE-QMMMGPOBSA-N |
Molecular Weight |
191.658 g/mol |
SMILES |
C(N1[C@](COCCl)(CCC1)[H])(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916624 |