| SpectraBase Spectrum ID |
J7vqd81Vn08 |
| Name |
(5as,6S,8as)-6-Chloranyl-2,4-dimethyl-5,5A,6,8A-tetrahydropentaleno[2,1-D]pyrimidine-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.066555365 u |
| Formula |
C12H13ClN2O2 |
| InChI |
InChI=1S/C12H13ClN2O2/c1-14-9-5-7-6(3-4-8(7)13)10(9)11(16)15(2)12(14)17/h3-4,6-8H,5H2,1-2H3/t6-,7-,8-/m0/s1 |
| InChIKey |
OSMGAZURXFCOLF-FXQIFTODSA-N |
| Molecular Weight |
252.701 g/mol |
| SMILES |
C1=2C(N(C)C(N(C2C[C@]2([C@@]1(C=C[C@@]2(Cl)[H])[H])[H])C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909076 |
![(5aS,6S,8aS)-6-chloranyl-2,4-dimethyl-5,5a,6,8a-tetrahydropentaleno[2,1-d]pyrimidine-1,3-dione](/api/spectrum/J7vqd81Vn08/structure.png?h=300&w=458 "(5aS,6S,8aS)-6-chloranyl-2,4-dimethyl-5,5a,6,8a-tetrahydropentaleno[2,1-d]pyrimidine-1,3-dione")
