SpectraBase Spectrum ID |
1LFAa8Qalje |
Name |
1-(2-Amino-2-cyclopropylethoxy)-4-chlorobenzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
211.076391774 u |
Formula |
C11H14ClNO |
InChI |
InChI=1S/C11H14ClNO/c12-9-3-5-10(6-4-9)14-7-11(13)8-1-2-8/h3-6,8,11H,1-2,7,13H2 |
InChIKey |
XHJSIGUNKIOSSV-UHFFFAOYSA-N |
Molecular Weight |
211.692 g/mol |
SMILES |
C(OC=1C=CC(=CC1)Cl)C(N)C1CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827717 |