SpectraBase Spectrum ID |
AkRVyvEqc7W |
Name |
exo-2-(Benzoyloxy)-8,8-dimethyl-1-azabicyclo[3.2.1]octane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.157228918 u |
Formula |
C16H21NO2 |
InChI |
InChI=1S/C16H21NO2/c1-16(2)13-8-9-14(17(16)11-10-13)19-15(18)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3 |
InChIKey |
KCUXGCMNDGCQHG-UHFFFAOYSA-N |
Molecular Weight |
259.349 g/mol |
SMILES |
C1(N2C(C(CC1)CC2)(C)C)OC(=O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819264 |