| SpectraBase Spectrum ID |
J4nwOTXABUY |
| Name |
(+-)-trans-11-ethyl-2,3-methylenedidioxy-6A,12B-dihydro-6H-chromeno[3,4-C]isoquinoline-8-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.115758027 u |
| Formula |
C19H17NO4 |
| InChI |
InChI=1S/C19H17NO4/c1-2-10-3-4-11-12(5-10)18-13-6-16-17(24-9-23-16)7-15(13)22-8-14(18)20-19(11)21/h3-7,14,18H,2,8-9H2,1H3,(H,20,21)/t14-,18-/m1/s1 |
| InChIKey |
GABVRFQIKUCSFC-RDTXWAMCSA-N |
| Molecular Weight |
323.348 g/mol |
| SMILES |
C=12[C@]3(C4=C(C(=O)N[C@@]3(COC1C=C1C(=C2)OCO1)[H])C=CC(=C4)CC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861403 |
![(+-)-Trans-11-ethyl-2,3-methylenedidioxy-6a,12b-dihydro-6H-chromeno[3,4-c]isoquinoline-8-one](/api/spectrum/J4nwOTXABUY/structure.png?h=300&w=458 "(+-)-Trans-11-ethyl-2,3-methylenedidioxy-6a,12b-dihydro-6H-chromeno[3,4-c]isoquinoline-8-one")
