| SpectraBase Spectrum ID |
7v9SntBNjak |
| Name |
1H-Isoindole-1,3(2H)-dione, 3A,4,7,7A-tetrahydro-2-methyl-5-(1-oxo-3-phenyl-2-propenyl)-, cis- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.120843408 u |
| Formula |
C18H17NO3 |
| InChI |
InChI=1S/C18H17NO3/c1-19-17(21)14-9-8-13(11-15(14)18(19)22)16(20)10-7-12-5-3-2-4-6-12/h2-8,10,14-15H,9,11H2,1H3/b10-7+/t14-,15+/m1/s1 |
| InChIKey |
CZACSTFTHHDBHS-AEOIHIIDSA-N |
| SMILES |
C1(N(C([C@@]2(CC=C(C[C@]12[H])C(\C=C\C=1C=CC=CC1)=O)[H])=O)C)=O |
