SpectraBase Spectrum ID |
DTG2Wm4AFeq |
Name |
Nortropacocaine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
231.125928789 u |
Formula |
C14H17NO2 |
InChI |
InChI=1S/C14H17NO2/c16-14(10-4-2-1-3-5-10)17-13-8-11-6-7-12(9-13)15-11/h1-5,11-13,15H,6-9H2/t11-,12+,13- |
InChIKey |
AZHSHGVBEAPALY-CLLJXQQHSA-N |
Molecular Weight |
231.295 g/mol |
SMILES |
C1C[C@@]2(C[C@](C[C@]1(N2)[H])(OC(=O)C1=CC=CC=C1)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903683 |