| SpectraBase Spectrum ID |
DDkbVQPLJ22 |
| Name |
Pyrrolo[3,4-C]pyrazole-4,6(1H,5H)-dione, 3-benzoyltetrahydro-2,5-dimethyl-1-phenyl-, (3.alpha.,3A.alpha.,6A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.142641481 u |
| Formula |
C20H19N3O3 |
| InChI |
InChI=1S/C20H19N3O3/c1-21-19(25)15-16(18(24)13-9-5-3-6-10-13)22(2)23(17(15)20(21)26)14-11-7-4-8-12-14/h3-12,15-17H,1-2H3/t15-,16+,17+/m1/s1 |
| InChIKey |
XXBMKLLAGOISNE-IKGGRYGDSA-N |
| Molecular Weight |
349.390 g/mol |
| SMILES |
[C@]12([C@](C(=O)N(C2=O)C)([C@@](C(=O)C=2C=CC=CC2)(N(N1C=1C=CC=CC1)C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894079 |
![Pyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 3-benzoyltetrahydro-2,5-dimethyl-1-phenyl-, (3.alpha.,3a.alpha.,6a.alpha.)-](/api/spectrum/DDkbVQPLJ22/structure.png?h=300&w=458 "Pyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 3-benzoyltetrahydro-2,5-dimethyl-1-phenyl-, (3.alpha.,3a.alpha.,6a.alpha.)-")
