| SpectraBase Spectrum ID |
Lix4kTWN9XB |
| Name |
Trans-3-(1,3-benzodioxo-5-yl)-2-methyl-4-(2-propenyl)-3,4-dihydro-1(2H)-isoquinolone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.136493473 u |
| Formula |
C20H19NO3 |
| InChI |
InChI=1S/C20H19NO3/c1-3-6-15-14-7-4-5-8-16(14)20(22)21(2)19(15)13-9-10-17-18(11-13)24-12-23-17/h3-5,7-11,15,19H,1,6,12H2,2H3/t15-,19+/m0/s1 |
| InChIKey |
GJNUIFQLORNSKQ-HNAYVOBHSA-N |
| Molecular Weight |
321.376 g/mol |
| SMILES |
C1(N([C@@]([C@](C2=CC=CC=C12)(CC=C)[H])(C1=CC=2OCOC2C=C1)[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845623 |
