SpectraBase Spectrum ID |
1N7TCkuRtUy |
Name |
Meop-m (N,N-bisdealkyl-nor-) ac P539 |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.116092380 u |
Formula |
C12H16N2O3 |
InChI |
InChI=1S/C12H16N2O3/c1-9(15)13-7-8-14-12(16)10-3-5-11(17-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16) |
InChIKey |
RLRWKYMRGAIKIB-UHFFFAOYSA-N |
Molecular Weight |
236.271 g/mol |
SMILES |
C=1(C=CC(=CC1)OC)C(NCCNC(=O)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953802 |