| SpectraBase Spectrum ID |
GUSNRVhRtLE |
| Name |
Pyrrolo[3,4-C]pyrrole-1,3(2H,3ah)-dione, 4-cyclopropyltetrahydro-4-methyl-2-phenyl-6-(2-pyridinyl)-, (3A.alpha.,4.alpha.,6.beta.,6A.alp ha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.163376926 u |
| Formula |
C21H21N3O2 |
| InChI |
InChI=1S/C21H21N3O2/c1-21(13-10-11-13)17-16(18(23-21)15-9-5-6-12-22-15)19(25)24(20(17)26)14-7-3-2-4-8-14/h2-9,12-13,16-18,23H,10-11H2,1H3/t16-,17-,18-,21+/m0/s1 |
| InChIKey |
WZQAWCNQNWVJJD-RYLXDESZSA-N |
| Molecular Weight |
347.418 g/mol |
| SMILES |
[C@]12([C@](C(=O)N(C2=O)C2=CC=CC=C2)([C@](C2=NC=CC=C2)(N[C@@]1(C1CC1)C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878372 |
![Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, 4-cyclopropyltetrahydro-4-methyl-2-phenyl-6-(2-pyridinyl)-, (3a.alpha.,4.alpha.,6.beta.,6a.alp ha.)-](/api/spectrum/GUSNRVhRtLE/structure.png?h=300&w=458 "Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, 4-cyclopropyltetrahydro-4-methyl-2-phenyl-6-(2-pyridinyl)-, (3a.alpha.,4.alpha.,6.beta.,6a.alp ha.)-")
