| SpectraBase Spectrum ID |
6ml5an53qqt |
| Name |
3A,6A-Dihydro-5-methyl-3-trans-(1-propenyl)-3H,5H-1-phenylpyrrolo[3,4-C]pyrrol-4,6-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.121177761 u |
| Formula |
C16H16N2O2 |
| InChI |
InChI=1S/C16H16N2O2/c1-3-7-11-12-13(16(20)18(2)15(12)19)14(17-11)10-8-5-4-6-9-10/h3-9,11-13H,1-2H3/b7-3+/t11?,12-,13+/m0/s1 |
| InChIKey |
WSQOABMVUIRGFE-NGZPOFGUSA-N |
| SMILES |
[C@]12([C@@](C(=O)N(C2=O)C)(C(\C=C\C)N=C1C1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959408 |
![3a,6a-dihydro-5-methyl-3-trans-(1-propenyl)-3H,5H-1-phenylpyrrolo[3,4-c]pyrrol-4,6-dione](/api/spectrum/6ml5an53qqt/structure.png?h=300&w=458 "3a,6a-dihydro-5-methyl-3-trans-(1-propenyl)-3H,5H-1-phenylpyrrolo[3,4-c]pyrrol-4,6-dione")
