| SpectraBase Spectrum ID |
B9Dv5AAKm6z |
| Name |
1-[(3as,5R,7ar)-1,3-bis(Oxidanylidene)-2-phenyl-3A,4,5,7A-tetrahydroisoindol-5-yl]-3-phenyl-thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.119798036 u |
| Formula |
C21H19N3O2S |
| InChI |
InChI=1S/C21H19N3O2S/c25-19-17-12-11-15(23-21(27)22-14-7-3-1-4-8-14)13-18(17)20(26)24(19)16-9-5-2-6-10-16/h1-12,15,17-18H,13H2,(H2,22,23,27)/t15-,17+,18-/m0/s1 |
| InChIKey |
ZQLVFYJTHIKFPS-JQHSSLGASA-N |
| Molecular Weight |
377.462 g/mol |
| SMILES |
C1(N(C([C@@]2(C=C[C@@](C[C@]12[H])(NC(NC=1C=CC=CC1)=S)[H])[H])=O)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963281 |
![1-[(3aS,5R,7aR)-1,3-bis(oxidanylidene)-2-phenyl-3a,4,5,7a-tetrahydroisoindol-5-yl]-3-phenyl-thiourea](/api/spectrum/B9Dv5AAKm6z/structure.png?h=300&w=458 "1-[(3aS,5R,7aR)-1,3-bis(oxidanylidene)-2-phenyl-3a,4,5,7a-tetrahydroisoindol-5-yl]-3-phenyl-thiourea")
