| SpectraBase Spectrum ID |
7SyFuq4mlOi |
| Name |
4-((rel-3ar,4R,7as)-2-Methyl-1,3-dioxo-5-vinyl-2,3,3A,4,7,7A-hexahydro-1H-isoindol-4-yl)but-2-ynal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.105193344 u |
| Formula |
C15H15NO3 |
| InChI |
InChI=1S/C15H15NO3/c1-3-10-7-8-12-13(11(10)6-4-5-9-17)15(19)16(2)14(12)18/h3,7,9,11-13H,1,6,8H2,2H3/t11-,12-,13+/m0/s1 |
| InChIKey |
QZUARPFDZGXFBH-RWMBFGLXSA-N |
| Molecular Weight |
257.289 g/mol |
| SMILES |
C1=C([C@@]([C@@]2([C@@]([H])(C(=O)N(C)C2=O)C1)[H])(CC#CC=O)[H])C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916104 |
