| SpectraBase Spectrum ID |
JucX5AvMSTg |
| Name |
(+,-)-2,3,4,4A-tetrahydro[1,3]dioxolo[4,5-J]phenanthridin-6(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.089543280 u |
| Formula |
C14H13NO3 |
| InChI |
InChI=1S/C14H13NO3/c16-14-10-6-13-12(17-7-18-13)5-9(10)8-3-1-2-4-11(8)15-14/h3,5-6,11H,1-2,4,7H2,(H,15,16) |
| InChIKey |
LTLNSMQXWBHBAP-UHFFFAOYSA-N |
| Molecular Weight |
243.262 g/mol |
| SMILES |
C12=C(C(=O)NC3C2=CCCC3)C=C2C(=C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906877 |
![(+,-)-2,3,4,4a-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(5H)-one](/api/spectrum/JucX5AvMSTg/structure.png?h=300&w=458 "(+,-)-2,3,4,4a-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(5H)-one")
