SpectraBase Spectrum ID |
JD1YalIJdim |
Name |
(R)-N-(Quinuclidin-3-yl)-2,3-dihydrobenzo[B][1,4]dioxine-6-carboxamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
288.147392509 u |
Formula |
C16H20N2O3 |
InChI |
InChI=1S/C16H20N2O3/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14/h1-2,9,11,13H,3-8,10H2,(H,17,19)/t13-/m0/s1 |
InChIKey |
LUVXHMJTVXZFPD-ZDUSSCGKSA-N |
SMILES |
C(=O)(N[C@]1(CN2CCC1CC2)[H])C1=CC2=C(OCCO2)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952463 |