SpectraBase Spectrum ID |
LIjbmHKDpRX |
Name |
(1S,8as)-Octhydro-1-[(benzyloxy)methoxy]-6-methyleneindolizine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
273.172878983 u |
Formula |
C17H23NO2 |
InChI |
InChI=1S/C17H23NO2/c1-14-7-8-16-17(9-10-18(16)11-14)20-13-19-12-15-5-3-2-4-6-15/h2-6,16-17H,1,7-13H2/t16-,17-/m0/s1 |
InChIKey |
WYLPVCZQXMMOFI-IRXDYDNUSA-N |
SMILES |
[C@]12(N(CC(CC2)=C)CC[C@@]1(OCOCC=1C=CC=CC1)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816384 |