SpectraBase Spectrum ID |
EHr1dG4ZmcU |
Name |
Morpholine, 3-(chloromethyl)-4-(phenylmethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.092041838 u |
Formula |
C12H16ClNO |
InChI |
InChI=1S/C12H16ClNO/c13-8-12-10-15-7-6-14(12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2 |
InChIKey |
MSRCVCNYPADFER-UHFFFAOYSA-N |
Molecular Weight |
225.719 g/mol |
SMILES |
C1N(C(CCl)COC1)CC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921557 |