SpectraBase Spectrum ID |
KydpyoYBCpJ |
Name |
8-Acetyl-6-(2,3-dimethoxyphenyl)-2,3-dihydroindolizin-5(1H)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
313.131408092 u |
Formula |
C18H19NO4 |
InChI |
InChI=1S/C18H19NO4/c1-11(20)13-10-14(18(21)19-9-5-7-15(13)19)12-6-4-8-16(22-2)17(12)23-3/h4,6,8,10H,5,7,9H2,1-3H3 |
InChIKey |
YCGHTPUQMUBILM-UHFFFAOYSA-N |
Molecular Weight |
313.353 g/mol |
SMILES |
C1CCN2C1=C(C=C(C2=O)C1=C(C(=CC=C1)OC)OC)C(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889668 |