SpectraBase Spectrum ID |
H9YVV58Tg20 |
Name |
5,8,14,15-Tetrahydro-3-methoxy-benzo[E][1,3]dioxolo[4,5-K][3]benzazecine-4-ol-6-oxide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
341.126322711 u |
Formula |
C19H19NO5 |
InChI |
InChI=1S/C19H19NO5/c1-23-16-5-4-12-2-3-13-8-17-18(25-11-24-17)9-14(13)6-7-20(22)10-15(12)19(16)21/h4-5,7-9,21H,2-3,6,10-11H2,1H3/b20-7+ |
InChIKey |
SWYPFAKOVBTTRC-IFRROFPPSA-N |
Molecular Weight |
341.363 g/mol |
SMILES |
C1\[N+](=C/CC=2C(CCC3=CC=C(C(=C13)O)OC)=CC1=C(C2)OCO1)[O-] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870048 |